<?xml version="1.0" encoding="UTF-8"?>
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    <admin>
        <current_status>
            <date>2024-05-22</date>
            <code>REL</code>
            <processing_site>PDBe</processing_site>
        </current_status>
        <sites>
            <deposition>PDBe</deposition>
            <last_processing>PDBe</last_processing>
        </sites>
        <key_dates>
            <deposition>2019-12-07</deposition>
            <header_release>2020-02-19</header_release>
            <map_release>2020-02-19</map_release>
            <update>2024-05-22</update>
        </key_dates>
        <grant_support>
            <grant_reference>
                <funding_body>Medical Research Council (MRC, United Kingdom)</funding_body>
                <code>MC_U105192715</code>
                <country>United Kingdom</country>
            </grant_reference>
            <grant_reference>
                <funding_body>European Molecular Biology Organization (EMBO)</funding_body>
                <code>ALTF 692-2018</code>
                <country>United Kingdom</country>
            </grant_reference>
        </grant_support>
        <title>Structure of monoubiquitinated FANCD2 in complex with FANCI and DNA</title>
        <authors_list>
            <author>Alcon P</author>
            <author>Shakeel S</author>
        </authors_list>
        <keywords>Fanconi anaemia, ubiquitin, DNA repair, DNA damage, inter-strand crosslink, DNA BINDING PROTEIN</keywords>
    </admin>
    <crossreferences>
        <citation_list>
            <primary_citation>
                <journal_citation published="true">
                    <author order="1">Alcon P</author>
                    <author order="2">Shakeel S</author>
                    <author order="3">Chen ZA</author>
                    <author order="4">Rappsilber J</author>
                    <author order="5">Patel KJ</author>
                    <author order="6">Passmore LA</author>
                    <title>FANCD2-FANCI is a clamp stabilized on DNA by monoubiquitination of FANCD2 during DNA repair.</title>
                    <journal_abbreviation>Nat.Struct.Mol.Biol.</journal_abbreviation>
                    <country>US</country>
                    <volume>27</volume>
                    <first_page>240</first_page>
                    <last_page>248</last_page>
                    <year>2020</year>
                    <external_references type="PUBMED">32066963</external_references>
                    <external_references type="DOI">doi:10.1038/s41594-020-0380-1</external_references>
                    <external_references type="ISSN">1545-9985</external_references>
                </journal_citation>
            </primary_citation>
        </citation_list>
        <pdb_list>
            <pdb_reference>
                <pdb_id>6tnf</pdb_id>
                <relationship>
                    <in_frame>FULLOVERLAP</in_frame>
                </relationship>
            </pdb_reference>
        </pdb_list>
    </crossreferences>
    <sample>
        <name>Complex of monoubiquitinated FANCD2, FANCI and DNA</name>
        <supramolecule_list>
            <complex_supramolecule supramolecule_id="1">
                <name>Complex of monoubiquitinated FANCD2, FANCI and DNA</name>
                <parent>0</parent>
                <macromolecule_list>
                    <macromolecule>
                        <macromolecule_id>1</macromolecule_id>
                    </macromolecule>
                    <macromolecule>
                        <macromolecule_id>2</macromolecule_id>
                    </macromolecule>
                    <macromolecule>
                        <macromolecule_id>3</macromolecule_id>
                    </macromolecule>
                    <macromolecule>
                        <macromolecule_id>4</macromolecule_id>
                    </macromolecule>
                </macromolecule_list>
                <molecular_weight>
                    <theoretical units="MDa">0.3</theoretical>
                </molecular_weight>
            </complex_supramolecule>
            <complex_supramolecule supramolecule_id="2">
                <name>FANCD2, FANCI</name>
                <parent>1</parent>
                <macromolecule_list>
                    <macromolecule>
                        <macromolecule_id>1</macromolecule_id>
                    </macromolecule>
                    <macromolecule>
                        <macromolecule_id>2</macromolecule_id>
                    </macromolecule>
                </macromolecule_list>
                <natural_source database="NCBI">
                    <organism ncbi="9031">Gallus gallus</organism>
                </natural_source>
            </complex_supramolecule>
            <complex_supramolecule supramolecule_id="3">
                <name>UBC</name>
                <parent>1</parent>
                <macromolecule_list>
                    <macromolecule>
                        <macromolecule_id>3</macromolecule_id>
                    </macromolecule>
                </macromolecule_list>
                <natural_source database="NCBI">
                    <organism ncbi="9606">Homo sapiens</organism>
                </natural_source>
            </complex_supramolecule>
            <complex_supramolecule supramolecule_id="4">
                <name>DNA</name>
                <parent>1</parent>
                <macromolecule_list>
                    <macromolecule>
                        <macromolecule_id>4</macromolecule_id>
                    </macromolecule>
                </macromolecule_list>
                <details>An idealized dsDNA of 33 bp of arbitrary sequence was placed and refined into the EM density but the following DNA sequences were used in the sample preparation by annealing oligonucleotides X1, X2, X3, X4, X5, X6:

X1:  GCGCACCAAGAGATACGCGGTCGAATGCCGAGTAGCCATCAGCG
X2:  ACCATGCAGCTACTCGGCATTCGACCGCGTATCTGGCGACTACG
X3:  TATCTCTTGGTGCGC
X4:  CGCTGATGGCTACTC
X5:  CGTAGTCGCCAGATA
X6:  GAGTAGCTGCATGGT</details>
                <natural_source database="NCBI">
                    <organism ncbi="32630">Synthetic construct</organism>
                </natural_source>
            </complex_supramolecule>
        </supramolecule_list>
        <macromolecule_list>
            <protein_or_peptide macromolecule_id="1">
                <name>FANCD2</name>
                <natural_source database="NCBI">
                    <organism ncbi="9031">Gallus gallus</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.160932328</theoretical>
                </molecular_weight>
                <number_of_copies>1</number_of_copies>
                <recombinant_expression database="NCBI">
                    <recombinant_organism ncbi="7108">Spodoptera frugiperda</recombinant_organism>
                </recombinant_expression>
                <enantiomer>LEVO</enantiomer>
                <sequence>
                    <string>MVSKRKLSKIDAAEESSKTDLQSRCPETKRSRISDKRAPSQGGLENEGVFEELLRTSGIILKVGEGQNEIAVDQTAFQKK
LRVALEKHPSYPGVVNEFISGLESHIKDRSQFKNCLLPCTPARTEGSRTLVHSYCESLIKLLLGIKILQPAVVTLLLEKI
PEFFFDVVGTFGTNFPRLIVNQFKWLDGLLDSQDLVKKLMQMLSVSPVPIQHDIITSLPEILEDSQQNEVARELSCLLKQ
GRRLTVPILDALSRLDLDAELLAKVRQSAMTIVPSVKLEDLPVVIKFILHNVKAADAVEVISDLRKSLDLSSCVLPLQLL
GSQRKLKSQAQASSSMSQVTTSQNCVKLLFDVIKLAVRFQKDVSEAWIKAIENSTSVSDHKVLDLIVLLLIHSTNSKNRK
QTEKVLRSKIRLGCMPEQLMQNAFQNHSMVIKDFFPSILSLAQTFLHSAHPAVVSFGSCMYKQAFAVFDSYCQQEVVCAL
VTHVCSGNETELDISLDVLTDLVILHPSLLLRYATFVKTILDSMQKLNPCQIRKLFYILSTLAFSQRQEGSYIQDDMHMV
IRKWLSSSVPNHKQMGIIGAVTMMGSVALKRNEADGGLLERPELSIECDGQLSTLLDLVGFCCEQTPEVLALYYDELANL
IEKQKGNLDLQLLDKFGKSLVEDFPNDFVVDLSPTVDGSFLFPVKSLYNLDEDETQGAIAINLLPLVSQSEPGRVADEMS
NSRKRVVSPICLSPCFRLLRLYTGEQNNGSLEEIDALLGCPLYLTDLEVEGKLDSLSKQEREFLCSLLFYALNWFREVVN
AFCQQQDAEMKGKVLTRLQNITELQNVLGKCLAATPGYVPPPATFDSEAPEGVPSINAGGPVRKKNGKKRKSDSSKACSA
ERTQADESSDGNQPDTELSELEKSAAEKETGNPLAQLQSYRPYFRELDLEVFSVLHCGLLTKSILDTEMHTEASEVVQLG
PAELCFLLDDMCWKLEHVLTPGSTRRVPFLKERGNKDVGFSHLCQRSPKEVAVCVVKLLKPLCNHMENMHNYFQTVIPNQ
GVVDESGLNIQEYQLMSSCYHQLLLAFRLLFAWSGFSQHENSNLLRSALQVLADRLKPGETEFLPLEELISESFQYLLNF
QASIPSFQCAFILTQVLMAISEKPMTGWKREKMASLAKQFLCQSWMKPGGDREKGSHFNSALHTLLCVYLEHTDNILKAI
EEISSVGVPELINSAKDGCSSTYPTLSRQTFPVFFRVMMAQLESSVKSIPAGKPSDSGEVQLEKLLKWNIAVRNFHILIN
LVKVFDSRPVLSICLKYGRLFVEAFLKLAMPLLDHSFKKHRDDVQSLLKTLQLSTRQLHHMCGHSKIHQDLGLTNHVPLL
KKSLEQFVYRVKAMLAFNHCQEAFWVGVLKNRDLQGEEILSQASAAPEEDSAEGSEEDTEDSAAEEPDGTDSDSGGAGR</string>
                    <external_references type="UNIPROTKB">F1NP22</external_references>
                </sequence>
            </protein_or_peptide>
            <protein_or_peptide macromolecule_id="2">
                <name>Fanconi anemia complementation group I</name>
                <natural_source database="NCBI">
                    <organism ncbi="9031">Gallus gallus</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.149458297</theoretical>
                </molecular_weight>
                <number_of_copies>1</number_of_copies>
                <recombinant_expression database="NCBI">
                    <recombinant_organism ncbi="7108">Spodoptera frugiperda</recombinant_organism>
                </recombinant_expression>
                <enantiomer>LEVO</enantiomer>
                <sequence>
                    <string>MAQRILQLAAEGSPERLQEALQGLTEGELGDMVTRQALRGRETAALLKGIFKGSPCSQQSGVLRRLQVYKHCVSLVESGD
LHVGKVSEIIGLLMLEARQLPGHALAELATLFVEVIKRGSLSNGKSLELFSTVLTALSNSKESLAYGKGELNGEEFKKQL
INTLCSSKWDPQCVIHLANMFRDIPLSGEELQFVVEKVLRMFSKLDLQEIPPLVYQLLLLSAKGSKKTVLEGIISFFNQL
DKRQKEEQRVPQSADLEVATVPLDQLRHVEGTVILHIVSAINLDQDIGEELIKHLKTEQQKDPGKALCPFSVSLLLSTAV
KHRLQEQIFDFLKTSITRSCKDLQILQASKFLQDLCPQQYDVTAVILEVVKNSAFGWDHVTQGLVDLGFSLMESYEPKKS
FGGKAAETNLGLSKMPAQQACKLGASILLETFKVHEPIRSDILEQVLNRVLTKAASPVSHFIDLLSNIVVSAPLVLQNSS
SRVTETFDNLSFLPIDTVQGLLRAVQPLLKVSMSVRDSLILVLQKAIFSRQLDARKAAVAGFLLLLRNFKILGSLTSSQC
SQAIGATQVQADVHACYNSAANEAFCLEILGSLRRCLSQQADVRLMLYEGFYDVLRRNSQLASSIMETLLSQIKQYYLPQ
QDLLPPLKLEGCIMAQGDQIFLQEPLAHLLCCIQHCLAWYKSTVHLCKGAEDEEEEEDVGFEQNFEEMLESVTRRMIKSE
LEDFELDKSADFSPSSGVGVKNNIYAIQVMGICEVLIEYNFKIGNFSKNKFEDVLGLFTCYNKLSEILKEKAGKNKSTLG
NRIARSFLSMGFVSTLLTALFRDNAQSHEESLAVLRSSTEFMRYAVSVALQKVQQLEEMGQTDGPDGQNPEKMFQNLCKI
TRVLLWRYTSIPTAVEESGKKKGKSISLLCLEGLLRIFNTMQQLYAARIPQFLQALDITDGDAEEADINVTEKAAFQIRQ
FQRSLVNQLSSAEDDFNSKETQLLITILSTLSKLLDPGSQQFLQFLTWTVKICKENALEDLSCCKGLLTLLFSLHVLYKS
PVSLLRELAQDIHACLGDIDQDVEIESRSHFAIVNVKTAAPTVCLLVLGQADKVLEEVDWLIKRLTILGSDTSEDSTQAS
NQTQALEKGVILQLGTLLTVFHELVQTALPAGSCVDSLLRSLSKTYAILTSLIKHYIQACRSTSNTVPGRLEKLVKLSGS
HLTPQCYSFITYVQNIHSESLSFAEEKKKKKKEDETAVVSTVMAKVLRDTKPIPNLIFAIEQYEKFLIHLSKKSKVNLMQ
YMKLSTSRDFRINASMLDSVLQEQNTEDAENEPDNNQSGTAEQPDENQEPQKKRRRKK</string>
                    <external_references type="UNIPROTKB">B0I564</external_references>
                </sequence>
            </protein_or_peptide>
            <protein_or_peptide macromolecule_id="3">
                <name>Polyubiquitin-C</name>
                <natural_source database="NCBI">
                    <organism ncbi="9606">Homo sapiens</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.008576831</theoretical>
                </molecular_weight>
                <number_of_copies>1</number_of_copies>
                <recombinant_expression database="NCBI">
                    <recombinant_organism ncbi="562">Escherichia coli</recombinant_organism>
                </recombinant_expression>
                <enantiomer>LEVO</enantiomer>
                <sequence>
                    <string>MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG</string>
                    <external_references type="UNIPROTKB">P0CG48</external_references>
                </sequence>
            </protein_or_peptide>
            <dna macromolecule_id="4">
                <name>DNA (33-MER)</name>
                <natural_source database="NCBI">
                    <organism ncbi="32630">synthetic construct</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.005898203</theoretical>
                </molecular_weight>
                <details>An idealized dsDNA of 33 bp of arbitrary sequence was placed and refined into the EM density but the following DNA sequences were used in the sample preparation by annealing oligonucleotides X1, X2, X3, X4, X5, X6: X1: GCGCACCAAGAGATACGCGGTCGAATGCCGAGTAGCCATCAGCG X2: ACCATGCAGCTACTCGGCATTCGACCGCGTATCTGGCGACTACG X3: TATCTCTTGGTGCGC X4: CGCTGATGGCTACTC X5: CGTAGTCGCCAGATA X6: GAGTAGCTGCATGGT</details>
                <number_of_copies>2</number_of_copies>
                <sequence>
                    <string>(DN)(DN)(DN)(DN)(DN)(DN)(DN)(DN)(DN)(DN)(DN)(DN)(DN)(DN)(DN)(DN)(DN)(DN)(DN)(DN)
(DN)(DN)(DN)(DN)(DN)(DN)(DN)(DN)(DN)(DN)(DN)(DN)(DN)</string>
                </sequence>
                <classification>DNA</classification>
            </dna>
        </macromolecule_list>
    </sample>
    <structure_determination_list>
        <structure_determination structure_determination_id="1">
            <method>singleParticle</method>
            <aggregation_state>particle</aggregation_state>
            <specimen_preparation_list>
                <single_particle_preparation preparation_id="1">
                    <concentration units="mg/mL">0.3</concentration>
                    <buffer>
                        <ph>8.0</ph>
                        <details>50 mM HEPES, 100 mM imidazole, 150 mM NaCl, 1 mM TCEP</details>
                    </buffer>
                    <grid>
                        <model>UltrAuFoil</model>
                        <material>GOLD</material>
                        <mesh>300</mesh>
                        <pretreatment>
                            <type>PLASMA CLEANING</type>
                            <time units="s">25</time>
                        </pretreatment>
                    </grid>
                    <vitrification>
                        <cryogen_name>ETHANE</cryogen_name>
                        <chamber_humidity units="percentage">100</chamber_humidity>
                        <chamber_temperature units="K">277.15</chamber_temperature>
                        <instrument>FEI VITROBOT MARK IV</instrument>
                    </vitrification>
                </single_particle_preparation>
            </specimen_preparation_list>
            <microscopy_list>
                <single_particle_microscopy microscopy_id="1">
                    <microscope>FEI TITAN KRIOS</microscope>
                    <illumination_mode>FLOOD BEAM</illumination_mode>
                    <imaging_mode>BRIGHT FIELD</imaging_mode>
                    <electron_source>FIELD EMISSION GUN</electron_source>
                    <acceleration_voltage units="kV">300</acceleration_voltage>
                    <c2_aperture_diameter units="µm">50.0</c2_aperture_diameter>
                    <nominal_cs units="mm">2.7</nominal_cs>
                    <nominal_defocus_min units="µm">1.8</nominal_defocus_min>
                    <nominal_defocus_max units="µm">3.5</nominal_defocus_max>
                    <nominal_magnification>81000.0</nominal_magnification>
                    <specimen_holder_model>FEI TITAN KRIOS AUTOGRID HOLDER</specimen_holder_model>
                    <cooling_holder_cryogen>NITROGEN</cooling_holder_cryogen>
                    <alignment_procedure>
                        <coma_free/>
                    </alignment_procedure>
                    <specialist_optics>
                        <energy_filter>
                            <slit_width units="eV">20</slit_width>
                        </energy_filter>
                    </specialist_optics>
                    <image_recording_list>
                        <image_recording image_recording_id="1">
                            <film_or_detector_model>GATAN K3 BIOQUANTUM (6k x 4k)</film_or_detector_model>
                            <average_electron_dose_per_image units="e/Å^2">70.0</average_electron_dose_per_image>
                        </image_recording>
                    </image_recording_list>
                </single_particle_microscopy>
            </microscopy_list>
            <singleparticle_processing image_processing_id="1">
                <image_recording_id>1</image_recording_id>
                <particle_selection>
                    <number_selected>2500000</number_selected>
                </particle_selection>
                <startup_model type_of_model="OTHER">
                    <details>Random model generated by stochastic gradient algorithm</details>
                </startup_model>
                <final_reconstruction>
                    <applied_symmetry>
                        <point_group>C1</point_group>
                    </applied_symmetry>
                    <resolution units="Å" res_type="BY AUTHOR">3.8</resolution>
                    <resolution_method>FSC 0.143 CUT-OFF</resolution_method>
                    <software_list>
                        <software>
                            <name>RELION</name>
                            <version>3.1</version>
                        </software>
                    </software_list>
                    <number_images_used>146245</number_images_used>
                </final_reconstruction>
                <initial_angle_assignment>
                    <type>MAXIMUM LIKELIHOOD</type>
                    <software_list>
                        <software>
                            <name>RELION</name>
                        </software>
                    </software_list>
                </initial_angle_assignment>
                <final_angle_assignment>
                    <type>MAXIMUM LIKELIHOOD</type>
                    <software_list>
                        <software>
                            <name>RELION</name>
                        </software>
                    </software_list>
                </final_angle_assignment>
                <final_three_d_classification>
                    <software_list>
                        <software>
                            <name>RELION</name>
                        </software>
                    </software_list>
                </final_three_d_classification>
            </singleparticle_processing>
        </structure_determination>
    </structure_determination_list>
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        <file>emd_10531.map.gz</file>
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        <cell>
            <a units="Å">476.99997</a>
            <b units="Å">476.99997</b>
            <c units="Å">476.99997</c>
            <alpha units="deg">90.0</alpha>
            <beta units="deg">90.0</beta>
            <gamma units="deg">90.0</gamma>
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        <axis_order>
            <fast>X</fast>
            <medium>Y</medium>
            <slow>Z</slow>
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        <statistics>
            <minimum>-0.04974713</minimum>
            <maximum>0.10805731</maximum>
            <average>0.000058346082</average>
            <std>0.0012534399</std>
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            <x units="Å">1.06</x>
            <y units="Å">1.06</y>
            <z units="Å">1.06</z>
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        <contour_list>
            <contour primary="true">
                <level>0.0197</level>
                <source>AUTHOR</source>
            </contour>
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        <label>::::EMDATABANK.org::::EMD-10531::::</label>
        <annotation_details>Post processed map  from Relion</annotation_details>
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    <interpretation>
        <modelling_list>
            <modelling>
                <initial_model>
                    <access_code>3S4W</access_code>
                    <chain>
                        <source_name>PDB</source_name>
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                    </chain>
                </initial_model>
                <initial_model>
                    <access_code>1UBQ</access_code>
                    <chain>
                        <source_name>PDB</source_name>
                        <initial_model_type>experimental model</initial_model_type>
                    </chain>
                </initial_model>
                <refinement_protocol>OTHER</refinement_protocol>
                <refinement_space>REAL</refinement_space>
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                    <gamma units="deg">90.0</gamma>
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                    <medium>Y</medium>
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                <label>::::EMDATABANK.org::::EMD-10531::::</label>
                <annotation_details>Focussed map for DNA region. Please use this map for DNA model fit in map.</annotation_details>
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                    <beta units="deg">90.0</beta>
                    <gamma units="deg">90.0</gamma>
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                <axis_order>
                    <fast>X</fast>
                    <medium>Y</medium>
                    <slow>Z</slow>
                </axis_order>
                <statistics>
                    <minimum>-0.016592175</minimum>
                    <maximum>0.055541914</maximum>
                    <average>-0.00007219136</average>
                    <std>0.0010896665</std>
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                    <y units="Å">1.06</y>
                    <z units="Å">1.06</z>
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                    <contour primary="true">
                        <source>AUTHOR</source>
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                <label>::::EMDATABANK.org::::EMD-10531::::</label>
                <annotation_details>Refined map</annotation_details>
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        </additional_map_list>
        <half_map_list>
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                <data_type>IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES)</data_type>
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                    <row>450</row>
                    <sec>450</sec>
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                <spacing>
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                    <y>450</y>
                    <z>450</z>
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                    <a units="Å">476.99997</a>
                    <b units="Å">476.99997</b>
                    <c units="Å">476.99997</c>
                    <alpha units="deg">90.0</alpha>
                    <beta units="deg">90.0</beta>
                    <gamma units="deg">90.0</gamma>
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                    <fast>X</fast>
                    <medium>Y</medium>
                    <slow>Z</slow>
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                    <y units="Å">1.06</y>
                    <z units="Å">1.06</z>
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                <contour_list>
                    <contour primary="true">
                        <source>AUTHOR</source>
                    </contour>
                </contour_list>
                <label>::::EMDATABANK.org::::EMD-10531::::</label>
                <annotation_details>Half1 map from auto-refinement in Relion</annotation_details>
            </half_map>
            <half_map format="CCP4" size_kbytes="364501">
                <file>emd_10531_half_map_1.map.gz</file>
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                    <space_group>1</space_group>
                </symmetry>
                <data_type>IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES)</data_type>
                <dimensions>
                    <col>450</col>
                    <row>450</row>
                    <sec>450</sec>
                </dimensions>
                <origin>
                    <col>0</col>
                    <row>0</row>
                    <sec>0</sec>
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                <spacing>
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                    <y>450</y>
                    <z>450</z>
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                <cell>
                    <a units="Å">476.99997</a>
                    <b units="Å">476.99997</b>
                    <c units="Å">476.99997</c>
                    <alpha units="deg">90.0</alpha>
                    <beta units="deg">90.0</beta>
                    <gamma units="deg">90.0</gamma>
                </cell>
                <axis_order>
                    <fast>X</fast>
                    <medium>Y</medium>
                    <slow>Z</slow>
                </axis_order>
                <statistics>
                    <minimum>-0.049140632</minimum>
                    <maximum>0.0810616</maximum>
                    <average>-0.00007183393</average>
                    <std>0.0032957492</std>
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                <pixel_spacing>
                    <x units="Å">1.06</x>
                    <y units="Å">1.06</y>
                    <z units="Å">1.06</z>
                </pixel_spacing>
                <contour_list>
                    <contour primary="true">
                        <source>AUTHOR</source>
                    </contour>
                </contour_list>
                <label>::::EMDATABANK.org::::EMD-10531::::</label>
                <annotation_details>Half2 map from auto-refinement in Relion</annotation_details>
            </half_map>
        </half_map_list>
    </interpretation>
</emd>
