<?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-0185">
    <admin>
        <current_status>
            <date>2024-11-06</date>
            <code>REL</code>
            <processing_site>PDBe</processing_site>
        </current_status>
        <sites>
            <deposition>PDBe</deposition>
            <last_processing>PDBe</last_processing>
        </sites>
        <key_dates>
            <deposition>2018-08-10</deposition>
            <header_release>2018-09-12</header_release>
            <map_release>2019-03-20</map_release>
            <update>2024-11-06</update>
        </key_dates>
        <grant_support>
            <grant_reference>
                <funding_body>European Research Council</funding_body>
                <code>335855</code>
                <country>Czech Republic</country>
            </grant_reference>
        </grant_support>
        <title>Echovirus 18 Open particle without one pentamer</title>
        <authors_list>
            <author>Buchta D</author>
            <author>Fuzik T</author>
        </authors_list>
        <keywords>echovirus, echovirus 18, open particle, O-particle, enterovirus, picornavirus, genome release, VIRUS</keywords>
    </admin>
    <crossreferences>
        <citation_list>
            <primary_citation>
                <journal_citation published="true">
                    <author ORCID="0000-0001-6787-6355" order="1">Buchta D</author>
                    <author ORCID="0000-0002-1190-0210" order="2">Fuzik T</author>
                    <author ORCID="0000-0003-4568-0196" order="3">Hrebik D</author>
                    <author order="4">Levdansky Y</author>
                    <author order="5">Sukenik L</author>
                    <author order="6">Mukhamedova L</author>
                    <author order="7">Moravcova J</author>
                    <author order="8">Vacha R</author>
                    <author ORCID="0000-0003-4215-3315" order="9">Plevka P</author>
                    <title>Enterovirus particles expel capsid pentamers to enable genome release.</title>
                    <journal_abbreviation>Nat Commun</journal_abbreviation>
                    <country>UK</country>
                    <volume>10</volume>
                    <first_page>1138</first_page>
                    <last_page>1138</last_page>
                    <year>2019</year>
                    <external_references type="PUBMED">30850609</external_references>
                    <external_references type="DOI">doi:10.1038/s41467-019-09132-x</external_references>
                    <external_references type="ISSN">2041-1723</external_references>
                </journal_citation>
            </primary_citation>
        </citation_list>
        <pdb_list>
            <pdb_reference>
                <pdb_id>6hbk</pdb_id>
                <relationship>
                    <in_frame>FULLOVERLAP</in_frame>
                </relationship>
            </pdb_reference>
        </pdb_list>
    </crossreferences>
    <sample>
        <name>Echovirus E18</name>
        <supramolecule_list>
            <virus_supramolecule supramolecule_id="1">
                <name>Echovirus E18</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_list>
                <sci_species_name ncbi="47506">Echovirus E18</sci_species_name>
                <sci_species_strain>Metcalf</sci_species_strain>
                <natural_host database="NCBI">
                    <organism ncbi="9606">Homo sapiens</organism>
                </natural_host>
                <molecular_weight>
                    <theoretical units="MDa">7.20</theoretical>
                </molecular_weight>
                <virus_shell shell_id="1">
                    <name>Capsid</name>
                    <diameter units="Å">340.0</diameter>
                    <triangulation>1</triangulation>
                </virus_shell>
                <virus_type>VIRION</virus_type>
                <virus_isolate>STRAIN</virus_isolate>
                <virus_enveloped>false</virus_enveloped>
                <virus_empty>false</virus_empty>
            </virus_supramolecule>
        </supramolecule_list>
        <macromolecule_list>
            <protein_or_peptide macromolecule_id="1">
                <name>Echovirus 18 capsid protein 1</name>
                <natural_source database="NCBI">
                    <organism ncbi="47506">Echovirus E18</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.032564445</theoretical>
                </molecular_weight>
                <number_of_copies>11</number_of_copies>
                <enantiomer>LEVO</enantiomer>
                <sequence>
                    <string>GDNQDRTVANTQPSGPSNSTEIPALTAVETGHTSQVDPSDTIQTRHVVNFHSRSESTIENFMGRAACVFMDQYKINGEET
STDRFAVWTINIREMAQLRRKCEMFTYMRFDIEMTMVITSCQDQGTILDQDMPVLTHQIMYVPPGGPIPAKVDGYEWQTS
TNPSVFWTEGNAPPRISIPFISVGNAYSSFYDGWSHFTQDGTYGYTTLNAMGKLYIRHVNRSSPHQITSTIRVYFKPKHI
KAWVPRPPRLCPYINKRDVNFVVTEITDSRTSITDTPHPEHSVLATH</string>
                    <external_references type="UNIPROTKB">Q8V635</external_references>
                </sequence>
            </protein_or_peptide>
            <protein_or_peptide macromolecule_id="2">
                <name>Echovirus 18 capsid protein 2</name>
                <natural_source database="NCBI">
                    <organism ncbi="47506">Echovirus E18</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.026143782999999997</theoretical>
                </molecular_weight>
                <number_of_copies>11</number_of_copies>
                <enantiomer>LEVO</enantiomer>
                <sequence>
                    <string>GVPVLNTPGSNQFLTSDDYQSPSAMPQFDETPEMHIPGEVRNLMEIAEVDSVVPVNNVTGKTKSMDAYQIPVGTGNTDKT
KPIFSFQMDPGYSSVLKRTLLGEMLNYYAHWSGSVKLTFLFCGSAMATGKLLISYSPPGASVPTSRKDAMLGTHIVWDIG
LQSSCVLCVPWISQSHYRMVQQDPYTSAGYITCWYQTNIVVPPGAPTSCDVLCFASACNDFSVRLLRDTPFMAQPGKLQ</string>
                    <external_references type="UNIPROTKB">Q8V635</external_references>
                </sequence>
            </protein_or_peptide>
            <protein_or_peptide macromolecule_id="3">
                <name>Echovirus 18 capsid protein 3</name>
                <natural_source database="NCBI">
                    <organism ncbi="47506">Echovirus E18</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.028674199</theoretical>
                </molecular_weight>
                <number_of_copies>11</number_of_copies>
                <enantiomer>LEVO</enantiomer>
                <sequence>
                    <string>SPSAEECGYSDRVRSMTLGNSTITTQESANVVVGYGEWPSYLSDREATAEDQPTQPDVATCRFYTLESVQWEKTSPGWWW
KFPEALKNMGLFGQNMHYHYLGRAGYTIHVQCNASKFHQGCLLVVCVPEAEMGCADTDTTFPATELTTEDTPHVFTSDSI
TGKKVQAAVCNAGMGVGVGNLTIFPHQWINLRTNNSATIVIPYINSVPMDNMFRHYNFTLMIIPFAPLNFTDGATAYVPI
TVTIAPMYAEYNGLRLAST</string>
                    <external_references type="UNIPROTKB">Q8V635</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">0.5</concentration>
                    <buffer>
                        <ph>6.0</ph>
                        <component>
                            <concentration units="mM">37.5</concentration>
                            <formula>MES</formula>
                            <name>2-(N-Morpholino)ethanesulfonic acid</name>
                        </component>
                        <component>
                            <concentration units="mM">5.0</concentration>
                            <formula>Tris</formula>
                            <name>2-Amino-2-(hydroxymethyl)-1,3-propanediol</name>
                        </component>
                        <component>
                            <concentration units="mM">25.0</concentration>
                            <formula>NaCl</formula>
                            <name>sodium chloride</name>
                        </component>
                    </buffer>
                    <grid>
                        <model>Quantifoil R2/1</model>
                        <material>COPPER</material>
                        <mesh>300</mesh>
                        <support_film film_type_id="1">
                            <film_material>FORMVAR</film_material>
                            <film_topology>HOLEY</film_topology>
                        </support_film>
                        <pretreatment>
                            <type>GLOW DISCHARGE</type>
                            <time units="s">30</time>
                            <atmosphere>OTHER</atmosphere>
                        </pretreatment>
                    </grid>
                    <vitrification>
                        <cryogen_name>ETHANE</cryogen_name>
                        <chamber_humidity units="percentage">100</chamber_humidity>
                        <chamber_temperature units="K">298</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">1.0</nominal_defocus_min>
                    <calibrated_defocus_min units="µm">0.651</calibrated_defocus_min>
                    <nominal_defocus_max units="µm">3.0</nominal_defocus_max>
                    <calibrated_defocus_max units="µm">3.282</calibrated_defocus_max>
                    <nominal_magnification>75000.0</nominal_magnification>
                    <calibrated_magnification>79575.0</calibrated_magnification>
                    <specimen_holder_model>FEI TITAN KRIOS AUTOGRID HOLDER</specimen_holder_model>
                    <cooling_holder_cryogen>NITROGEN</cooling_holder_cryogen>
                    <alignment_procedure>
                        <zemlin_tableau/>
                    </alignment_procedure>
                    <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>INTEGRATING</detector_mode>
                            <digitization_details>
                                <dimensions>
                                    <width units="pixel">4096</width>
                                    <height units="pixel">4096</height>
                                </dimensions>
                            </digitization_details>
                            <number_grids_imaged>1</number_grids_imaged>
                            <number_real_images>6331</number_real_images>
                            <average_exposure_time units="s">1.0</average_exposure_time>
                            <average_electron_dose_per_image units="e/Å^2">45.2</average_electron_dose_per_image>
                            <details>Images were collected in movie-mode at 39 frames per second</details>
                        </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>509565</number_selected>
                </particle_selection>
                <startup_model type_of_model="EMDB MAP">
                    <emdb_id>EMD-0182</emdb_id>
                    <details>Echovirus 18 A-particle</details>
                </startup_model>
                <final_reconstruction>
                    <number_classes_used>1</number_classes_used>
                    <applied_symmetry>
                        <point_group>C5</point_group>
                    </applied_symmetry>
                    <algorithm>BACK PROJECTION</algorithm>
                    <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>2.1</version>
                        </software>
                    </software_list>
                    <number_images_used>3563</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>5</number_classes>
                    <average_number_members_per_class>3482.0</average_number_members_per_class>
                    <software_list>
                        <software>
                            <name>RELION</name>
                            <version>2.1</version>
                        </software>
                    </software_list>
                </final_three_d_classification>
            </singleparticle_processing>
        </structure_determination>
    </structure_determination_list>
    <map format="CCP4" size_kbytes="171501">
        <file>emd_0185.map.gz</file>
        <symmetry>
            <space_group>1</space_group>
        </symmetry>
        <data_type>IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES)</data_type>
        <dimensions>
            <col>350</col>
            <row>350</row>
            <sec>350</sec>
        </dimensions>
        <origin>
            <col>-175</col>
            <row>-175</row>
            <sec>-175</sec>
        </origin>
        <spacing>
            <x>350</x>
            <y>350</y>
            <z>350</z>
        </spacing>
        <cell>
            <a units="Å">372.05</a>
            <b units="Å">372.05</b>
            <c units="Å">372.05</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>-0.14749883</minimum>
            <maximum>0.30619463</maximum>
            <average>0.004718978</average>
            <std>0.01935793</std>
        </statistics>
        <pixel_spacing>
            <x units="Å">1.063</x>
            <y units="Å">1.063</y>
            <z units="Å">1.063</z>
        </pixel_spacing>
        <contour_list>
            <contour primary="true">
                <level>0.06</level>
                <source>AUTHOR</source>
            </contour>
        </contour_list>
        <label>::::EMDATABANK.org::::EMD-0185::::</label>
        <annotation_details>Echovirus 18 Open particle without one pentamer</annotation_details>
    </map>
    <interpretation>
        <modelling_list>
            <modelling>
                <initial_model>
                    <access_code>6HBH</access_code>
                    <chain>
                        <source_name>PDB</source_name>
                        <initial_model_type>experimental model</initial_model_type>
                    </chain>
                </initial_model>
                <refinement_protocol>RIGID BODY FIT</refinement_protocol>
                <details>Group B-factor refinement</details>
                <target_criteria>R-factor</target_criteria>
                <refinement_space>RECIPROCAL</refinement_space>
                <overall_bvalue>131.319999999999993</overall_bvalue>
            </modelling>
        </modelling_list>
        <half_map_list>
            <half_map format="CCP4" size_kbytes="536871">
                <file>emd_0185_half_map_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>512</col>
                    <row>512</row>
                    <sec>512</sec>
                </dimensions>
                <origin>
                    <col>0</col>
                    <row>0</row>
                    <sec>0</sec>
                </origin>
                <spacing>
                    <x>512</x>
                    <y>512</y>
                    <z>512</z>
                </spacing>
                <cell>
                    <a units="Å">544.256</a>
                    <b units="Å">544.256</b>
                    <c units="Å">544.256</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>-0.036921564</minimum>
                    <maximum>0.06408049</maximum>
                    <average>-0.00034678966</average>
                    <std>0.005379132</std>
                </statistics>
                <pixel_spacing>
                    <x units="Å">1.063</x>
                    <y units="Å">1.063</y>
                    <z units="Å">1.063</z>
                </pixel_spacing>
                <contour_list>
                    <contour primary="true">
                        <source>AUTHOR</source>
                    </contour>
                </contour_list>
                <label>::::EMDATABANK.org::::EMD-0185::::</label>
                <annotation_details>Echovirus 18 Open particle without one pentamer half maps</annotation_details>
            </half_map>
            <half_map format="CCP4" size_kbytes="536871">
                <file>emd_0185_half_map_2.map.gz</file>
                <symmetry>
                    <space_group>1</space_group>
                </symmetry>
                <data_type>IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES)</data_type>
                <dimensions>
                    <col>512</col>
                    <row>512</row>
                    <sec>512</sec>
                </dimensions>
                <origin>
                    <col>0</col>
                    <row>0</row>
                    <sec>0</sec>
                </origin>
                <spacing>
                    <x>512</x>
                    <y>512</y>
                    <z>512</z>
                </spacing>
                <cell>
                    <a units="Å">544.256</a>
                    <b units="Å">544.256</b>
                    <c units="Å">544.256</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>-0.041576326</minimum>
                    <maximum>0.06437197</maximum>
                    <average>-0.00033656665</average>
                    <std>0.00532962</std>
                </statistics>
                <pixel_spacing>
                    <x units="Å">1.063</x>
                    <y units="Å">1.063</y>
                    <z units="Å">1.063</z>
                </pixel_spacing>
                <contour_list>
                    <contour primary="true">
                        <source>AUTHOR</source>
                    </contour>
                </contour_list>
                <label>::::EMDATABANK.org::::EMD-0185::::</label>
                <annotation_details>Echovirus 18 Open particle without one pentamer half maps</annotation_details>
            </half_map>
        </half_map_list>
    </interpretation>
</emd>
