<?xml version="1.0" encoding="UTF-8"?>
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    <admin>
        <current_status>
            <date>2024-03-20</date>
            <code>REL</code>
            <processing_site>RCSB</processing_site>
        </current_status>
        <sites>
            <deposition>RCSB</deposition>
            <last_processing>RCSB</last_processing>
        </sites>
        <key_dates>
            <deposition>2019-01-14</deposition>
            <header_release>2019-02-06</header_release>
            <map_release>2019-02-13</map_release>
            <update>2024-03-20</update>
        </key_dates>
        <grant_support>
            <grant_reference>
                <funding_body>National Institutes of Health/National Human Genome Research Institute (NIH/NHGRI)</funding_body>
                <code>T32GM008570</code>
                <country>United States</country>
            </grant_reference>
            <grant_reference>
                <funding_body>National Institutes of Health/National Human Genome Research Institute (NIH/NHGRI)</funding_body>
                <code>ZIC ES103326</code>
                <country>United States</country>
            </grant_reference>
        </grant_support>
        <title>Structure of Dot1L-H2BK120ub nucleosome complex</title>
        <authors_list>
            <author>Anderson CJ</author>
            <author>Baird MR</author>
        </authors_list>
        <keywords>chromatin, structural biology, single particle, cryo-EM, histone methyltransferase, nucleosome, Dot1L, GENE REGULATION</keywords>
    </admin>
    <crossreferences>
        <citation_list>
            <primary_citation>
                <journal_citation published="true">
                    <author order="1">Anderson CJ</author>
                    <author order="2">Baird MR</author>
                    <author order="3">Hsu A</author>
                    <author order="4">Barbour EH</author>
                    <author order="5">Koyama Y</author>
                    <author order="6">Borgnia MJ</author>
                    <author order="7">McGinty RK</author>
                    <title>Structural Basis for Recognition of Ubiquitylated Nucleosome by Dot1L Methyltransferase.</title>
                    <journal_abbreviation>Cell Rep</journal_abbreviation>
                    <country>US</country>
                    <volume>26</volume>
                    <first_page>1681</first_page>
                    <last_page>1690.e5</last_page>
                    <year>2019</year>
                    <external_references type="PUBMED">30759380</external_references>
                    <external_references type="DOI">doi:10.1016/j.celrep.2019.01.058</external_references>
                    <external_references type="ISSN">2211-1247</external_references>
                </journal_citation>
            </primary_citation>
        </citation_list>
        <emdb_list>
            <emdb_reference>
                <emdb_id>EMD-0459</emdb_id>
                <relationship>
                    <other>other EM volume</other>
                </relationship>
            </emdb_reference>
            <emdb_reference>
                <emdb_id>EMD-0460</emdb_id>
                <relationship>
                    <other>other EM volume</other>
                </relationship>
            </emdb_reference>
        </emdb_list>
        <pdb_list>
            <pdb_reference>
                <pdb_id>6nn6</pdb_id>
                <relationship>
                    <in_frame>FULLOVERLAP</in_frame>
                </relationship>
            </pdb_reference>
        </pdb_list>
    </crossreferences>
    <sample>
        <name>Dot1L-H2BK120ub nucleosome complex (Class 2A)</name>
        <supramolecule_list>
            <complex_supramolecule supramolecule_id="1">
                <name>Dot1L-H2BK120ub nucleosome complex (Class 2A)</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>
                        <macromolecule_id>5</macromolecule_id>
                    </macromolecule>
                    <macromolecule>
                        <macromolecule_id>6</macromolecule_id>
                    </macromolecule>
                    <macromolecule>
                        <macromolecule_id>7</macromolecule_id>
                    </macromolecule>
                    <macromolecule>
                        <macromolecule_id>8</macromolecule_id>
                    </macromolecule>
                </macromolecule_list>
                <natural_source database="NCBI">
                    <organism ncbi="9606">Homo sapiens</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.27</theoretical>
                </molecular_weight>
            </complex_supramolecule>
        </supramolecule_list>
        <macromolecule_list>
            <protein_or_peptide macromolecule_id="1">
                <name>Histone H3.2</name>
                <natural_source database="NCBI">
                    <organism ncbi="8355">Xenopus laevis</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.01530393</theoretical>
                </molecular_weight>
                <number_of_copies>2</number_of_copies>
                <recombinant_expression database="NCBI">
                    <recombinant_organism ncbi="562">Escherichia coli</recombinant_organism>
                </recombinant_expression>
                <enantiomer>LEVO</enantiomer>
                <sequence>
                    <string>ARTKQTARKSTGGKAPRKQLATKAARKSAPATGGVKKPHRYRPGTVALREIRRYQKSTELLIRKLPFQRLVREIAQDFKT
DLRFQSSAVMALQEASEAYLVALFEDTNLCAIHAKRVTIMPKDIQLARRIRGERA</string>
                    <external_references type="UNIPROTKB">P84233</external_references>
                </sequence>
            </protein_or_peptide>
            <protein_or_peptide macromolecule_id="2">
                <name>Histone H4</name>
                <natural_source database="NCBI">
                    <organism ncbi="8355">Xenopus laevis</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.011263230999999999</theoretical>
                </molecular_weight>
                <number_of_copies>2</number_of_copies>
                <recombinant_expression database="NCBI">
                    <recombinant_organism ncbi="562">Escherichia coli</recombinant_organism>
                </recombinant_expression>
                <enantiomer>LEVO</enantiomer>
                <sequence>
                    <string>SGRGKGGKGLGKGGAKRHRKVLRDNIQGITKPAIRRLARRGGVKRISGLIYEETRGVLKVFLENVIRDAVTYTEHAKRKT
VTAMDVVYALKRQGRTLYGFGG</string>
                    <external_references type="UNIPROTKB">P62799</external_references>
                </sequence>
            </protein_or_peptide>
            <protein_or_peptide macromolecule_id="3">
                <name>Histone H2A type 1</name>
                <natural_source database="NCBI">
                    <organism ncbi="8355">Xenopus laevis</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.013978240999999999</theoretical>
                </molecular_weight>
                <number_of_copies>2</number_of_copies>
                <recombinant_expression database="NCBI">
                    <recombinant_organism ncbi="562">Escherichia coli</recombinant_organism>
                </recombinant_expression>
                <enantiomer>LEVO</enantiomer>
                <sequence>
                    <string>SGRGKQGGKTRAKAKTRSSRAGLQFPVGRVHRLLRKGNYAERVGAGAPVYLAAVLEYLTAEILELAGNAARDNKKTRIIP
RHLQLAVRNDEELNKLLGRVTIAQGGVLPNIQSVLLPKKTESSKSAKSK</string>
                    <external_references type="UNIPROTKB">P06897</external_references>
                </sequence>
            </protein_or_peptide>
            <protein_or_peptide macromolecule_id="4">
                <name>Histone H2B 1.1</name>
                <natural_source database="NCBI">
                    <organism ncbi="8355">Xenopus laevis</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.013642845999999998</theoretical>
                </molecular_weight>
                <number_of_copies>2</number_of_copies>
                <recombinant_expression database="NCBI">
                    <recombinant_organism ncbi="562">Escherichia coli</recombinant_organism>
                </recombinant_expression>
                <enantiomer>LEVO</enantiomer>
                <sequence>
                    <string>GSAKSAPAPKKGSKKAVTKTQKKDGKKRRKTRKESYAIYVYKVLKQVHPDTGISSKAMSIMNSFVNDVFERIAGEASRLA
HYNKRSTITSREIQTAVRLLLPGELAKHAVSEGTKAVTCYTSAK</string>
                    <external_references type="UNIPROTKB">P02281</external_references>
                </sequence>
            </protein_or_peptide>
            <dna macromolecule_id="5">
                <name>DNA (145-MER)</name>
                <natural_source database="NCBI">
                    <organism ncbi="32630">synthetic construct</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.044520383</theoretical>
                </molecular_weight>
                <number_of_copies>1</number_of_copies>
                <sequence>
                    <string>(DA)(DT)(DC)(DA)(DG)(DA)(DA)(DT)(DC)(DC)(DC)(DG)(DG)(DT)(DG)(DC)(DC)(DG)(DA)(DG)
(DG)(DC)(DC)(DG)(DC)(DT)(DC)(DA)(DA)(DT)(DT)(DG)(DG)(DT)(DC)(DG)(DT)(DA)(DG)(DA)
(DC)(DA)(DG)(DC)(DT)(DC)(DT)(DA)(DG)(DC)(DA)(DC)(DC)(DG)(DC)(DT)(DT)(DA)(DA)(DA)
(DC)(DG)(DC)(DA)(DC)(DG)(DT)(DA)(DC)(DG)(DC)(DG)(DC)(DT)(DG)(DT)(DC)(DC)(DC)(DC)
(DC)(DG)(DC)(DG)(DT)(DT)(DT)(DT)(DA)(DA)(DC)(DC)(DG)(DC)(DC)(DA)(DA)(DG)(DG)(DG)
(DG)(DA)(DT)(DT)(DA)(DC)(DT)(DC)(DC)(DC)(DT)(DA)(DG)(DT)(DC)(DT)(DC)(DC)(DA)(DG)
(DG)(DC)(DA)(DC)(DG)(DT)(DG)(DT)(DC)(DA)(DG)(DA)(DT)(DA)(DT)(DA)(DT)(DA)(DC)(DA)
(DT)(DC)(DG)(DA)(DT)</string>
                </sequence>
                <classification>DNA</classification>
            </dna>
            <dna macromolecule_id="6">
                <name>DNA (145-MER)</name>
                <natural_source database="NCBI">
                    <organism ncbi="32630">synthetic construct</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.04499166</theoretical>
                </molecular_weight>
                <number_of_copies>1</number_of_copies>
                <sequence>
                    <string>(DA)(DT)(DC)(DG)(DA)(DT)(DG)(DT)(DA)(DT)(DA)(DT)(DA)(DT)(DC)(DT)(DG)(DA)(DC)(DA)
(DC)(DG)(DT)(DG)(DC)(DC)(DT)(DG)(DG)(DA)(DG)(DA)(DC)(DT)(DA)(DG)(DG)(DG)(DA)(DG)
(DT)(DA)(DA)(DT)(DC)(DC)(DC)(DC)(DT)(DT)(DG)(DG)(DC)(DG)(DG)(DT)(DT)(DA)(DA)(DA)
(DA)(DC)(DG)(DC)(DG)(DG)(DG)(DG)(DG)(DA)(DC)(DA)(DG)(DC)(DG)(DC)(DG)(DT)(DA)(DC)
(DG)(DT)(DG)(DC)(DG)(DT)(DT)(DT)(DA)(DA)(DG)(DC)(DG)(DG)(DT)(DG)(DC)(DT)(DA)(DG)
(DA)(DG)(DC)(DT)(DG)(DT)(DC)(DT)(DA)(DC)(DG)(DA)(DC)(DC)(DA)(DA)(DT)(DT)(DG)(DA)
(DG)(DC)(DG)(DG)(DC)(DC)(DT)(DC)(DG)(DG)(DC)(DA)(DC)(DC)(DG)(DG)(DG)(DA)(DT)(DT)
(DC)(DT)(DG)(DA)(DT)</string>
                </sequence>
                <classification>DNA</classification>
            </dna>
            <protein_or_peptide macromolecule_id="7">
                <name>Histone-lysine N-methyltransferase, H3 lysine-79 specific</name>
                <natural_source database="NCBI">
                    <organism ncbi="9606">Homo sapiens</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.047462039</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>GSEKLELRLKSPVGAEPAVYPWPLPVYDKHHDAAHEIIETIRWVCEEIPDLKLAMENYVLIDYDTKSFESMQRLCDKYNR
AIDSIHQLWKGTTQPMKLNTRPSTGLLRHILQQVYNHSVTDPEKLNNYEPFSPEVYGETSFDLVAQMIDEIKMTDDDLFV
DLGSGVGQVVLQVAAATNCKHHYGVEKADIPAKYAETMDREFRKWMKWYGKKHAEYTLERGDFLSEEWRERIANTSVIFV
NNFAFGPEVDHQLKERFANMKEGGRIVSSKPFAPLNFRINSRNLSDIGTIMRVVELSPLKGSVSWTGKPVSYYLHTIDRT
ILENYFSSLKNPKLREEQEAARRRQQRESKSNAATPTKGPEGKVAGPADAPMDSGAEEEKAGAATVKKPSPSKARKKKLN
KKGRKMAGRKRGRPKK</string>
                    <external_references type="UNIPROTKB">Q8TEK3</external_references>
                </sequence>
                <ec_number>2.1.1.43</ec_number>
            </protein_or_peptide>
            <protein_or_peptide macromolecule_id="8">
                <name>Ubiquitin</name>
                <natural_source database="NCBI">
                    <organism ncbi="9606">Homo sapiens</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.00891118</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>GSGSMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGC</string>
                    <external_references type="UNIPROTKB">F5H388</external_references>
                </sequence>
            </protein_or_peptide>
        </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">0.93</concentration>
                    <buffer>
                        <ph>7.5</ph>
                    </buffer>
                    <grid>
                        <model>Quantifoil R1.2/1.3</model>
                        <material>COPPER</material>
                        <mesh>300</mesh>
                        <pretreatment>
                            <type>PLASMA CLEANING</type>
                            <time units="s">60</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>
                    <image_recording_list>
                        <image_recording image_recording_id="1">
                            <film_or_detector_model>FEI FALCON III (4k x 4k)</film_or_detector_model>
                            <detector_mode>COUNTING</detector_mode>
                            <number_grids_imaged>1</number_grids_imaged>
                            <number_real_images>1000</number_real_images>
                            <average_exposure_time units="s">60.0</average_exposure_time>
                            <average_electron_dose_per_image units="e/Å^2">48.0</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>408526</number_selected>
                </particle_selection>
                <startup_model type_of_model="PDB ENTRY">
                    <pdb_model>
                        <pdb_id>6ESF</pdb_id>
                    </pdb_model>
                    <details>low-pass filtered</details>
                </startup_model>
                <final_reconstruction>
                    <number_classes_used>1</number_classes_used>
                    <applied_symmetry>
                        <point_group>C1</point_group>
                    </applied_symmetry>
                    <resolution units="Å" res_type="BY AUTHOR">3.9</resolution>
                    <resolution_method>FSC 0.143 CUT-OFF</resolution_method>
                    <software_list>
                        <software>
                            <name>RELION</name>
                            <version>2.1</version>
                        </software>
                    </software_list>
                    <number_images_used>39558</number_images_used>
                </final_reconstruction>
                <initial_angle_assignment>
                    <type>MAXIMUM LIKELIHOOD</type>
                    <software_list>
                        <software>
                            <name>RELION</name>
                            <version>2.1</version>
                        </software>
                    </software_list>
                </initial_angle_assignment>
                <final_angle_assignment>
                    <type>MAXIMUM LIKELIHOOD</type>
                    <software_list>
                        <software>
                            <name>RELION</name>
                            <version>2.1</version>
                        </software>
                    </software_list>
                </final_angle_assignment>
                <final_three_d_classification>
                    <number_classes>4</number_classes>
                    <average_number_members_per_class>39558.0</average_number_members_per_class>
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                        <software>
                            <name>RELION</name>
                            <version>2.1</version>
                        </software>
                    </software_list>
                </final_three_d_classification>
            </singleparticle_processing>
        </structure_determination>
    </structure_determination_list>
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            <row>330</row>
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            <x>330</x>
            <y>330</y>
            <z>330</z>
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            <b units="Å">356.40002</b>
            <c units="Å">356.40002</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>
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            <minimum>-0.11526908</minimum>
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        <annotation_details>Structure of Dot1L-H2BK120ub nucleosome complex</annotation_details>
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                <initial_model>
                    <access_code>1NW3</access_code>
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                        <residue_range>1-332</residue_range>
                        <source_name>PDB</source_name>
                        <initial_model_type>experimental model</initial_model_type>
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                    <access_code>1UBQ</access_code>
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                        <residue_range>1-74</residue_range>
                        <source_name>PDB</source_name>
                        <initial_model_type>experimental model</initial_model_type>
                    </chain>
                </initial_model>
                <initial_model>
                    <access_code>3LZ0</access_code>
                    <chain>
                        <chain_id>A</chain_id>
                        <source_name>PDB</source_name>
                        <initial_model_type>experimental model</initial_model_type>
                    </chain>
                </initial_model>
                <initial_model>
                    <access_code>3LZ0</access_code>
                    <chain>
                        <chain_id>B</chain_id>
                        <source_name>PDB</source_name>
                        <initial_model_type>experimental model</initial_model_type>
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                <initial_model>
                    <access_code>3LZ0</access_code>
                    <chain>
                        <chain_id>C</chain_id>
                        <source_name>PDB</source_name>
                        <initial_model_type>experimental model</initial_model_type>
                    </chain>
                </initial_model>
                <initial_model>
                    <access_code>3LZ0</access_code>
                    <chain>
                        <chain_id>D</chain_id>
                        <source_name>PDB</source_name>
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                <initial_model>
                    <access_code>3LZ0</access_code>
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                        <source_name>PDB</source_name>
                        <initial_model_type>experimental model</initial_model_type>
                    </chain>
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                <initial_model>
                    <access_code>3LZ0</access_code>
                    <chain>
                        <chain_id>F</chain_id>
                        <source_name>PDB</source_name>
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                <initial_model>
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                        <chain_id>G</chain_id>
                        <source_name>PDB</source_name>
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                <initial_model>
                    <access_code>3LZ0</access_code>
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                        <chain_id>H</chain_id>
                        <source_name>PDB</source_name>
                        <initial_model_type>experimental model</initial_model_type>
                    </chain>
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                <initial_model>
                    <access_code>3LZ0</access_code>
                    <chain>
                        <chain_id>I</chain_id>
                        <source_name>PDB</source_name>
                        <initial_model_type>experimental model</initial_model_type>
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                <initial_model>
                    <access_code>3LZ0</access_code>
                    <chain>
                        <chain_id>J</chain_id>
                        <source_name>PDB</source_name>
                        <initial_model_type>experimental model</initial_model_type>
                    </chain>
                </initial_model>
                <refinement_protocol>RIGID BODY FIT</refinement_protocol>
                <refinement_space>REAL</refinement_space>
            </modelling>
        </modelling_list>
    </interpretation>
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