<?xml version="1.0" encoding="UTF-8"?>
<emd xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="https://github.com/emdb-empiar/emdb-schemas/blob/master/v3/v3_0_2_2/emdb.xsd" emdb_id="EMD-8963" version="3.0.2.2">
    <admin>
        <current_status>
            <date>2021-02-01</date>
            <code>OBS</code>
            <processing_site>RCSB</processing_site>
        </current_status>
        <sites>
            <deposition>RCSB</deposition>
            <last_processing>RCSB</last_processing>
        </sites>
        <key_dates>
            <deposition>2018-07-11</deposition>
            <header_release>2021-02-10</header_release>
            <obsolete>2021-02-10</obsolete>
            <update>2021-02-01</update>
        </key_dates>
        <grant_support>
            <grant_reference>
                <funding_body>Suppressed</funding_body>
                <code>Suppressed</code>
                <country>Suppressed</country>
            </grant_reference>
            <grant_reference>
                <funding_body>Suppressed</funding_body>
                <code>Suppressed</code>
                <country>Suppressed</country>
            </grant_reference>
        </grant_support>
        <title>Suppressed</title>
        <authors_list>
            <author>Suppressed X</author>
            <author>Suppressed X</author>
            <author>Suppressed X</author>
            <author>Suppressed X</author>
        </authors_list>
    </admin>
    <crossreferences>
        <citation_list>
            <primary_citation>
                <journal_citation published="false">
                    <author order="1">Suppressed X</author>
                    <author order="2">Suppressed X</author>
                    <author order="3">Suppressed X</author>
                    <author order="4">Suppressed X</author>
                    <author order="5">Suppressed X</author>
                    <author order="6">Suppressed X</author>
                    <author order="7">Suppressed X</author>
                    <title>Suppressed</title>
                    <journal_abbreviation>Suppressed</journal_abbreviation>
                </journal_citation>
            </primary_citation>
        </citation_list>
        <emdb_list>
            <emdb_reference>
                <emdb_id>EMD-8963</emdb_id>
                <relationship>
                    <other>associated EM volume</other>
                </relationship>
                <details>Suppressed</details>
            </emdb_reference>
            <emdb_reference>
                <emdb_id>EMD-8964</emdb_id>
                <relationship>
                    <other>other EM volume</other>
                </relationship>
                <details>Suppressed</details>
            </emdb_reference>
        </emdb_list>
        <pdb_list>
            <pdb_reference>
                <pdb_id>6e2k</pdb_id>
                <relationship>
                    <in_frame>FULLOVERLAP</in_frame>
                </relationship>
            </pdb_reference>
        </pdb_list>
    </crossreferences>
    <sample>
        <name>Suppressed</name>
        <supramolecule_list>
            <organelle_or_cellular_component_supramolecule supramolecule_id="1">
                <name>Suppressed</name>
                <parent>0</parent>
                <macromolecule_list>
                    <macromolecule>
                        <macromolecule_id>1</macromolecule_id>
                    </macromolecule>
                </macromolecule_list>
                <details>Suppressed</details>
                <natural_source database="NCBI">
                    <organism ncbi="32644">Suppressed</organism>
                    <strain>Suppressed</strain>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">1</theoretical>
                </molecular_weight>
                <recombinant_expression database="NCBI">
                    <recombinant_organism ncbi="32644">Suppressed</recombinant_organism>
                </recombinant_expression>
            </organelle_or_cellular_component_supramolecule>
        </supramolecule_list>
        <macromolecule_list>
            <protein_or_peptide macromolecule_id="1">
                <name>Suppressed</name>
                <natural_source database="NCBI">
                    <organism ncbi="32644">Suppressed</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">1e-06</theoretical>
                </molecular_weight>
                <number_of_copies>12</number_of_copies>
                <recombinant_expression database="NCBI">
                    <recombinant_organism ncbi="32644">Suppressed</recombinant_organism>
                </recombinant_expression>
                <enantiomer>LEVO</enantiomer>
                <sequence>
                    <string>X</string>
                </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">0.6</concentration>
                    <buffer>
                        <ph>6.4</ph>
                        <component>
                            <concentration units="mM">12.5</concentration>
                            <formula>C8H18N2O4S</formula>
                            <name>HEPES</name>
                        </component>
                        <component>
                            <concentration units="mM">37.5</concentration>
                            <formula>C6H13NO4S</formula>
                            <name>MES</name>
                        </component>
                        <component>
                            <concentration units="mM">200.0</concentration>
                            <formula>NaCl</formula>
                            <name>sodium chloride</name>
                        </component>
                        <details>NaCl was diluted from 1 M to 200 mM immediately before freezing. HEPES pH 7.5 buffer was diluted with MES pH 6.0 buffer thus adjusting pH to 6.4.</details>
                    </buffer>
                    <grid>
                        <model>C-flat-2/2</model>
                        <pretreatment>
                            <type>GLOW DISCHARGE</type>
                        </pretreatment>
                    </grid>
                    <vitrification>
                        <cryogen_name>ETHANE</cryogen_name>
                        <instrument>FEI VITROBOT MARK IV</instrument>
                        <details>After application of sample to the C-flat holey carbon grid, sample was blotted with Whatman no. 1 filter paper for ~4s, blot force of 3, and 100 % humidity at 22oC.. </details>
                    </vitrification>
                </single_particle_preparation>
            </specimen_preparation_list>
            <microscopy_list>
                <single_particle_microscopy microscopy_id="1">
                    <microscope>FEI TITAN KRIOS</microscope>
                    <illumination_mode>SPOT SCAN</illumination_mode>
                    <imaging_mode>BRIGHT FIELD</imaging_mode>
                    <electron_source>FIELD EMISSION GUN</electron_source>
                    <acceleration_voltage units="kV">300</acceleration_voltage>
                    <nominal_cs units="mm">2.7</nominal_cs>
                    <nominal_magnification>130000.0</nominal_magnification>
                    <specialist_optics>
                        <energy_filter>
                            <name>GIF Quantum LS</name>
                            <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 K2 SUMMIT (4k x 4k)</film_or_detector_model>
                            <detector_mode>SUPER-RESOLUTION</detector_mode>
                            <digitization_details/>
                            <number_grids_imaged>1</number_grids_imaged>
                            <average_exposure_time units="s">10.0</average_exposure_time>
                            <average_electron_dose_per_image units="e/Å^2">45.0</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>49952</number_selected>
                </particle_selection>
                <ctf_correction>
                    <software_list>
                        <software>
                            <name>CTFFIND</name>
                            <version>4</version>
                        </software>
                        <software>
                            <name>RELION</name>
                        </software>
                    </software_list>
                </ctf_correction>
                <startup_model type_of_model="OTHER">
                    <details>2D class averages of the auto-picked particles were calculated and used to generate a de novo D6 symmetric initial model in EMAN2.</details>
                </startup_model>
                <final_reconstruction>
                    <applied_symmetry>
                        <point_group>D6</point_group>
                    </applied_symmetry>
                    <resolution units="Å" res_type="BY AUTHOR">4.2</resolution>
                    <resolution_method>FSC 0.143 CUT-OFF</resolution_method>
                    <software_list>
                        <software>
                            <name>RELION</name>
                        </software>
                    </software_list>
                    <number_images_used>25236</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>
            </singleparticle_processing>
        </structure_determination>
    </structure_determination_list>
    <map format="CCP4" size_kbytes="52578">
        <file>emd_8963.map.gz</file>
        <symmetry>
            <space_group>1</space_group>
        </symmetry>
        <data_type>IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES)</data_type>
        <dimensions>
            <col>236</col>
            <row>236</row>
            <sec>236</sec>
        </dimensions>
        <origin>
            <col>0</col>
            <row>0</row>
            <sec>0</sec>
        </origin>
        <spacing>
            <x>236</x>
            <y>236</y>
            <z>236</z>
        </spacing>
        <cell>
            <a units="Å">250.15999</a>
            <b units="Å">250.15999</b>
            <c units="Å">250.15999</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>-0.045405697</minimum>
            <maximum>0.100587204</maximum>
            <average>-4.301027e-05</average>
            <std>0.0047599208</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>0.0234</level>
                <source>AUTHOR</source>
            </contour>
        </contour_list>
        <label>::::EMDATABANK.org::::EMD-8963::::                                              </label>
        <annotation_details>Suppressed</annotation_details>
    </map>
    <interpretation>
        <modelling_list>
            <modelling>
                <refinement_protocol>OTHER</refinement_protocol>
                <details>Initial local fitting was done using UCSF Chimera. Multiple rounds of automated (Phenix) and manual (Coot) model building were performed. The model was validated in Molprobity(part of Phenix package). Model-map cross correlation score as well as EMRinger score were obtained in Phenix. RMSD values for C-alphas were calculated in UCSF Chimera.</details>
                <target_criteria>Model-map cross correlation</target_criteria>
                <refinement_space>REAL</refinement_space>
            </modelling>
        </modelling_list>
        <additional_map_list>
            <additional_map format="CCP4" size_kbytes="52578">
                <file>emd_8963_additional_1.map.gz</file>
                <symmetry>
                    <space_group>1</space_group>
                </symmetry>
                <data_type>IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES)</data_type>
                <dimensions>
                    <col>236</col>
                    <row>236</row>
                    <sec>236</sec>
                </dimensions>
                <origin>
                    <col>0</col>
                    <row>0</row>
                    <sec>0</sec>
                </origin>
                <spacing>
                    <x>236</x>
                    <y>236</y>
                    <z>236</z>
                </spacing>
                <cell>
                    <a units="Å">250.15999</a>
                    <b units="Å">250.15999</b>
                    <c units="Å">250.15999</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>-0.005797484</minimum>
                    <maximum>0.024512978</maximum>
                    <average>-3.036325e-05</average>
                    <std>0.0015215686</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">
                        <source>AUTHOR</source>
                    </contour>
                </contour_list>
                <label>::::EMDATABANK.org::::EMD-8963::::                                              </label>
                <annotation_details>Suppressed</annotation_details>
            </additional_map>
        </additional_map_list>
    </interpretation>
</emd>
