<?xml version="1.0" encoding="UTF-8"?>
<emd xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="https://ftp.ebi.ac.uk/pub/databases/em_ebi/emdb_related/emdb-schemas/emdb_schemas/v3/v3_0_9_3/emdb.xsd" version="3.0.9.3" emdb_id="EMD-0014">
    <admin>
        <current_status>
            <date>2024-10-23</date>
            <code>REL</code>
            <processing_site>PDBe</processing_site>
        </current_status>
        <sites>
            <deposition>PDBe</deposition>
            <last_processing>PDBe</last_processing>
        </sites>
        <key_dates>
            <deposition>2018-05-18</deposition>
            <header_release>2018-06-20</header_release>
            <map_release>2018-11-14</map_release>
            <update>2024-10-23</update>
        </key_dates>
        <grant_support>
            <grant_reference>
                <funding_body>European Research Council</funding_body>
                <code>322408</code>
                <country>United Kingdom</country>
            </grant_reference>
            <grant_reference>
                <funding_body>National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)</funding_body>
                <code>EB-002026</code>
                <country>United States</country>
            </grant_reference>
            <grant_reference>
                <funding_body>National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)</funding_body>
                <code>AG-058504</code>
                <country>United States</country>
            </grant_reference>
            <grant_reference>
                <funding_body>Wellcome Trust</funding_body>
                <code>092896MA</code>
                <country>United Kingdom</country>
            </grant_reference>
            <grant_reference>
                <funding_body>Wellcome Trust</funding_body>
                <code>204963</code>
                <country>United Kingdom</country>
            </grant_reference>
        </grant_support>
        <title>Two protofilament beta-2-microglobulin amyloid fibril</title>
        <authors_list>
            <author>Iadanza MG</author>
            <author>Ranson NA</author>
        </authors_list>
        <keywords>amyloid, b2m, PROTEIN FIBRIL</keywords>
    </admin>
    <crossreferences>
        <citation_list>
            <primary_citation>
                <journal_citation published="true">
                    <author ORCID="0000-0001-6152-1844" order="1">Iadanza MG</author>
                    <author ORCID="0000-0003-0197-3878" order="2">Silvers R</author>
                    <author order="3">Boardman J</author>
                    <author order="4">Smith HI</author>
                    <author order="5">Karamanos TK</author>
                    <author ORCID="0000-0001-6775-9415" order="6">Debelouchina GT</author>
                    <author ORCID="0000-0001-5063-3218" order="7">Su Y</author>
                    <author ORCID="0000-0003-1589-832X" order="8">Griffin RG</author>
                    <author ORCID="0000-0002-3640-5275" order="9">Ranson NA</author>
                    <author ORCID="0000-0002-3079-8039" order="10">Radford SE</author>
                    <title>The structure of a beta2-microglobulin fibril suggests a molecular basis for its amyloid polymorphism.</title>
                    <journal_abbreviation>Nat Commun</journal_abbreviation>
                    <country>UK</country>
                    <volume>9</volume>
                    <first_page>4517</first_page>
                    <last_page>4517</last_page>
                    <year>2018</year>
                    <external_references type="PUBMED">30375379</external_references>
                    <external_references type="DOI">doi:10.1038/s41467-018-06761-6</external_references>
                    <external_references type="ISSN">2041-1723</external_references>
                </journal_citation>
            </primary_citation>
        </citation_list>
        <pdb_list>
            <pdb_reference>
                <pdb_id>6gk3</pdb_id>
                <relationship>
                    <in_frame>FULLOVERLAP</in_frame>
                </relationship>
            </pdb_reference>
        </pdb_list>
    </crossreferences>
    <sample>
        <name>two protofilament beta-2-microglobulin amyloid fibril</name>
        <supramolecule_list>
            <complex_supramolecule supramolecule_id="1">
                <name>two protofilament beta-2-microglobulin amyloid fibril</name>
                <parent>0</parent>
                <macromolecule_list>
                    <macromolecule>
                        <macromolecule_id>1</macromolecule_id>
                    </macromolecule>
                </macromolecule_list>
                <natural_source database="NCBI">
                    <organism ncbi="9606">Homo sapiens</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="kDa/nm">53.3</theoretical>
                </molecular_weight>
            </complex_supramolecule>
        </supramolecule_list>
        <macromolecule_list>
            <protein_or_peptide macromolecule_id="1">
                <name>Beta-2-microglobulin</name>
                <natural_source database="NCBI">
                    <organism ncbi="9606">Homo sapiens</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.007635446</theoretical>
                </molecular_weight>
                <number_of_copies>8</number_of_copies>
                <recombinant_expression database="NCBI">
                    <recombinant_organism ncbi="562">Escherichia coli</recombinant_organism>
                </recombinant_expression>
                <enantiomer>LEVO</enantiomer>
                <sequence>
                    <string>FLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHV</string>
                    <external_references type="UNIPROTKB">P61769</external_references>
                </sequence>
            </protein_or_peptide>
        </macromolecule_list>
    </sample>
    <structure_determination_list>
        <structure_determination structure_determination_id="1">
            <method>helical</method>
            <aggregation_state>filament</aggregation_state>
            <specimen_preparation_list>
                <helical_preparation preparation_id="1">
                    <concentration units="mg/mL">0.025</concentration>
                    <buffer>
                        <ph>2.5</ph>
                        <component>
                            <concentration units="mM">20.0</concentration>
                            <formula>CH3COONa</formula>
                            <name>Sodium Acetate</name>
                        </component>
                        <component>
                            <concentration units="mM">20.0</concentration>
                            <formula>Na3PO4</formula>
                            <name>Sodium phosphate</name>
                        </component>
                        <component>
                            <concentration units="%">0.01</concentration>
                            <formula>NaN3</formula>
                            <name>Sodium Azide</name>
                        </component>
                    </buffer>
                    <grid>
                        <model>Quantifoil R3.5/1</model>
                        <material>COPPER</material>
                        <mesh>400</mesh>
                        <support_film film_type_id="1">
                            <film_material>CARBON</film_material>
                            <film_topology>HOLEY</film_topology>
                        </support_film>
                        <pretreatment>
                            <type>PLASMA CLEANING</type>
                            <time units="s">60</time>
                        </pretreatment>
                    </grid>
                    <vitrification>
                        <cryogen_name>ETHANE</cryogen_name>
                        <chamber_humidity units="percentage">80</chamber_humidity>
                        <chamber_temperature units="K">281.15</chamber_temperature>
                        <instrument>FEI VITROBOT MARK II</instrument>
                    </vitrification>
                    <details>Quiescent growth at 0.25 mg/ml for 5 weeks, diluted 10x with buffer</details>
                </helical_preparation>
            </specimen_preparation_list>
            <microscopy_list>
                <helical_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">100.0</c2_aperture_diameter>
                    <nominal_cs units="mm">2.7</nominal_cs>
                    <nominal_defocus_min units="µm">0.00175</nominal_defocus_min>
                    <nominal_defocus_max units="µm">0.0032500000000000003</nominal_defocus_max>
                    <nominal_magnification>130000.0</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>
                    <image_recording_list>
                        <image_recording image_recording_id="1">
                            <film_or_detector_model>GATAN K2 SUMMIT (4k x 4k)</film_or_detector_model>
                            <detector_mode>COUNTING</detector_mode>
                            <digitization_details>
                                <frames_per_image>3-40</frames_per_image>
                            </digitization_details>
                            <number_grids_imaged>1</number_grids_imaged>
                            <number_real_images>5549</number_real_images>
                            <average_exposure_time units="s">10.0</average_exposure_time>
                            <average_electron_dose_per_image units="e/Å^2">38.5</average_electron_dose_per_image>
                        </image_recording>
                    </image_recording_list>
                </helical_microscopy>
            </microscopy_list>
            <helical_processing image_processing_id="1">
                <image_recording_id>1</image_recording_id>
                <final_reconstruction>
                    <number_classes_used>1</number_classes_used>
                    <applied_symmetry>
                        <helical_parameters>
                            <delta_z units="Å">4.83</delta_z>
                            <delta_phi units="deg">-0.608</delta_phi>
                            <axial_symmetry>C2</axial_symmetry>
                        </helical_parameters>
                    </applied_symmetry>
                    <algorithm>FOURIER SPACE</algorithm>
                    <resolution units="Å" res_type="BY AUTHOR">3.975</resolution>
                    <resolution_method>FSC 0.143 CUT-OFF</resolution_method>
                    <software_list>
                        <software>
                            <name>RELION</name>
                        </software>
                    </software_list>
                    <number_images_used>11035</number_images_used>
                </final_reconstruction>
                <segment_selection>
                    <number_selected>99000</number_selected>
                    <software_list>
                        <software>
                            <name>RELION</name>
                            <version>2.1</version>
                        </software>
                    </software_list>
                    <details>300 x 300 pixel Overlapping segments 90% overlap</details>
                </segment_selection>
                <startup_model type_of_model="EMDB MAP">
                    <emdb_id>EMD-1613</emdb_id>
                    <details>Filtered to 60 Angstrom resolution</details>
                </startup_model>
                <final_angle_assignment>
                    <type>NOT APPLICABLE</type>
                    <software_list>
                        <software>
                            <name>RELION</name>
                            <version>2.1</version>
                        </software>
                    </software_list>
                </final_angle_assignment>
            </helical_processing>
        </structure_determination>
    </structure_determination_list>
    <map format="CCP4" size_kbytes="108001">
        <file>emd_0014.map.gz</file>
        <symmetry>
            <space_group>1</space_group>
        </symmetry>
        <data_type>IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES)</data_type>
        <dimensions>
            <col>300</col>
            <row>300</row>
            <sec>300</sec>
        </dimensions>
        <origin>
            <col>0</col>
            <row>0</row>
            <sec>0</sec>
        </origin>
        <spacing>
            <x>300</x>
            <y>300</y>
            <z>300</z>
        </spacing>
        <cell>
            <a units="Å">317.99997</a>
            <b units="Å">317.99997</b>
            <c units="Å">317.99997</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>-0.08127573</minimum>
            <maximum>0.13223831</maximum>
            <average>0.000266917</average>
            <std>0.0030406867</std>
        </statistics>
        <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">
                <level>0.0398</level>
                <source>AUTHOR</source>
            </contour>
        </contour_list>
        <label>::::EMDATABANK.org::::EMD-0014::::</label>
        <annotation_details>Beta-2-microglobulin amyloid fibril - two protofilamets</annotation_details>
    </map>
    <interpretation>
        <modelling_list>
            <modelling>
                <refinement_protocol>OTHER</refinement_protocol>
                <refinement_space>REAL</refinement_space>
            </modelling>
        </modelling_list>
    </interpretation>
</emd>
