<emd xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" emdb_id="EMD-1095" version="3.0.1.1" xsi:schemaLocation="https://github.com/emdb-empiar/emdb-schemas/blob/master/v3/v3_0_1_1/emdb_relaxed.xsd">
   <admin>
      <current_status>
         <code>REL</code>
         <processing_site>PDBe</processing_site>
      </current_status>
      <sites>
         <deposition>PDBe</deposition>
         <last_processing>PDBe</last_processing>
      </sites>
      <key_dates>
         <deposition>2004-09-01</deposition>
         <header_release>2004-09-01</header_release>
         <map_release>2005-09-01</map_release>
         <update>2011-05-26</update>
      </key_dates>
      <title>A mutant chaperonin with rearranged inter-ring electrostatic contacts and temperature-sensitive dissociation.</title>
      <authors_list>
         <author>Sewell BT</author>
         <author>Best RB</author>
         <author>Chen S</author>
         <author>Roseman AM</author>
         <author>Farr GW</author>
         <author>Horwich AR</author>
         <author>Saibil HR</author>
      </authors_list>
      <keywords>
         </keywords>
   </admin>
   <crossreferences>
      <citation_list>
         <primary_citation>
            <journal_citation published="true">
               <author order="1">Sewell BT</author>
               <author order="2">Best RB</author>
               <author order="3">Chen S</author>
               <author order="4">Roseman AM</author>
               <author order="5">Farr GW</author>
               <author order="6">Horwich AL</author>
               <author order="7">Saibil HR</author>
               <title>A mutant chaperonin with rearranged inter-ring electrostatic contacts and temperature-sensitive dissociation.</title>
               <journal>NAT.STRUCT.MOL.BIOL.</journal>
               <volume>11</volume>
               <first_page>1128</first_page>
               <last_page>1133</last_page>
               <year>2004</year>
               <external_references type="PUBMED">15475965</external_references>
               <external_references type="DOI">doi:10.1038/nsmb844</external_references>
            </journal_citation>
         </primary_citation>
      </citation_list>
   </crossreferences>
   <sample>
      <name>E461K mutant of GroEL</name>
      <supramolecule_list>
         <sample_supramolecule supramolecule_id="1000">
            <name>E461K mutant of GroEL</name>
            <oligomeric_state>homo tetradecamer</oligomeric_state>
            <number_unique_components>1</number_unique_components>
            <molecular_weight>
               <experimental units="MDa">0.84</experimental>
               <theoretical units="MDa">0.84</theoretical>
               <method>sequencing, gel-filtration</method>
            </molecular_weight>
         </sample_supramolecule>
      </supramolecule_list>
      <macromolecule_list>
         <protein_or_peptide macromolecule_id="1">
            <name synonym="E461K">E461K mutant of GroEL</name>
            <natural_source database="NCBI">
               <organism ncbi="562">Escherichia coli</organism>
               <synonym_organism>E. coli</synonym_organism>
            </natural_source>
            <molecular_weight>
               <experimental units="MDa">0.84</experimental>
               <theoretical units="MDa">0.84</theoretical>
            </molecular_weight>
            <details>homo tetradecamer</details>
            <number_of_copies>14</number_of_copies>
            <oligomeric_state>homo tetradecamer</oligomeric_state>
            <recombinant_exp_flag>true</recombinant_exp_flag>
            <recombinant_expression database="NCBI">
               <recombinant_organism ncbi="562">Escherichia coli</recombinant_organism>
            </recombinant_expression>
            <sequence>
               </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">0.84</concentration>
               <buffer>
                  <ph>7.4</ph>
                  <details>20 mM Tris, 5 mM KCl, 10 mM MgCl2, pH 7.4</details>
               </buffer>
               <staining>
                  <type>NEGATIVE</type>
                  <details>grids were flash frozen by plunging into liquid
        ethane at       -170 degrees C. No stain was used.</details>
               </staining>
               <grid>
                  <details>copper grid, holey carbon films</details>
               </grid>
               <vitrification>
                  <cryogen_name>ETHANE</cryogen_name>
                  <instrument>HOMEMADE PLUNGER</instrument>
                  <details>Vitrification instrument: Home made plunger</details>
                  <method>grids were blotted prior to plunging for approximately two seconds</method>
               </vitrification>
            </single_particle_preparation>
         </specimen_preparation_list>
         <microscopy_list>
            <single_particle_microscopy microscopy_id="1">
               <microscope>JEOL 2010HT</microscope>
               <illumination_mode>FLOOD BEAM</illumination_mode>
               <imaging_mode>BRIGHT FIELD</imaging_mode>
               <electron_source>TUNGSTEN HAIRPIN</electron_source>
               <acceleration_voltage units="kV">200</acceleration_voltage>
               <nominal_defocus_min units="&#181;m">1.0</nominal_defocus_min>
               <nominal_defocus_max units="&#181;m">2.0</nominal_defocus_max>
               <nominal_magnification>30000.0</nominal_magnification>
               <calibrated_magnification>30000.0</calibrated_magnification>
               <specimen_holder_model>OTHER</specimen_holder_model>
               <temperature>
                  <temperature_min units="K">100</temperature_min>
                  <temperature_max units="K">100</temperature_max>
                  <temperature_average units="K">100</temperature_average>
               </temperature>
               <image_recording_list>
                  <image_recording>
                     <film_or_detector_model category="FILM">KODAK SO-163 FILM</film_or_detector_model>
                     <digitization_details>
                        <scanner>OTHER</scanner>
                        <sampling_interval units="&#181;m">10</sampling_interval>
                     </digitization_details>
                     <number_real_images>7</number_real_images>
                     <average_electron_dose_per_image units="e/&#8491;^2">10</average_electron_dose_per_image>
                     <details>Scanned on a Leafscan 45 at 2540 pixels per  inch.
        Subsequently pixels were averaged in 2x2 blocks.</details>
                     <bits_per_pixel>16.</bits_per_pixel>
                  </image_recording>
               </image_recording_list>
               <specimen_holder>Oxford CT3500</specimen_holder>
            </single_particle_microscopy>
         </microscopy_list>
         <singleparticle_processing image_processing_id="1">
            <details>Side views only were used in the reconstruction</details>
            <final_reconstruction>
               <applied_symmetry>
                  <point_group>C7</point_group>
               </applied_symmetry>
               <algorithm>OTHER</algorithm>
               <resolution res_type="BY AUTHOR" units="&#8491;">25.0</resolution>
               <resolution_method>FSC 0.5 CUT-OFF</resolution_method>
               <software_list>
                  <software>
                     <name>Spider</name>
                  </software>
               </software_list>
               <details>Seven fold symmetry was imposed on the reconstruction.</details>
               <number_images_used>1477</number_images_used>
            </final_reconstruction>
            <final_angle_assignment>
               <details>Spider euler angles file as follows:  1 3 90.0
        90.000 0.00000E+00  2 3 90.0 90.000 3.2143  3 3 90.0 90.000
        6.4286       4 3 90.0 90.000 9.6429  5 3 90.0 90.000 12.857  6 3
        90.0 90.000       16.071  7 3 90.0 90.000 19.286  8 3 90.0
        90.000 22.500  9 3 90.0       90.000 25.714  10 3 90.0 90.000
        28.929  11 3 90.0 90.000 32.143       12 3 90.0 90.000 35.357
        13 3 90.0 90.000 38.572  14 3 90.0 90.000       41.786  15 3
        90.0 90.000 45.000  16 3 90.0 90.000 48.214  17 3       90.0
        96.429 0.00000E+00  18 3 90.0 96.429 3.2143  19 3 90.0 96.429
        6.4286  20 3 90.0 96.429 9.6429  21 3 90.0 96.429 12.857  22 3
        90.0 96.429 16.071  23 3 90.0 96.429 19.286  24 3 90.0 96.429
        22.500  25 3 90.0 96.429 25.714  26 3 90.0 96.429 28.929  27 3
        90.0 96.429 32.143  28 3 90.0 96.429 35.357  29 3 90.0 96.429
        38.572  30 3 90.0 96.429 41.786  31 3 90.0 96.429 45.000  32 3
        90.0 96.429 48.214  33 3 90.0 102.857 0.0  34 3 90.0 102.857
        6.4825  35 3 90.0 102.857 12.857  36 3 90.0 102.857 19.2885  37
        3       90.0 102.857 25.714  38 3 90.0 102.857 32.1425  39 3
        90.0 102.857       38.571  40 3 90.0 102.857 45.0</details>
            </final_angle_assignment>
            <final_two_d_classification>
               <number_classes>40</number_classes>
            </final_two_d_classification>
         </singleparticle_processing>
      </structure_determination>
   </structure_determination_list>
   <map format="CCP4" size_kbytes="1025">
      <file>emd_1095.map.gz</file>
      <symmetry>
         <space_group>1</space_group>
      </symmetry>
      <data_type>IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES)</data_type>
      <dimensions>
         <col>64</col>
         <row>64</row>
         <sec>64</sec>
      </dimensions>
      <origin>
         <col>0</col>
         <row>0</row>
         <sec>0</sec>
      </origin>
      <spacing>
         <x>64</x>
         <y>64</y>
         <z>64</z>
      </spacing>
      <cell>
         <a units="&#8491;">426.88</a>
         <b units="&#8491;">426.88</b>
         <c units="&#8491;">426.88</c>
         <alpha units="deg">90</alpha>
         <beta units="deg">90</beta>
         <gamma units="deg">90</gamma>
      </cell>
      <axis_order>
         <fast>X</fast>
         <medium>Y</medium>
         <slow>Z</slow>
      </axis_order>
      <statistics>
         <minimum>-0.0751354</minimum>
         <maximum>0.084824</maximum>
         <average>-0.000167728</average>
         <std>0.00857093</std>
      </statistics>
      <pixel_spacing>
         <x units="&#8491;">6.67</x>
         <y units="&#8491;">6.67</y>
         <z units="&#8491;">6.67</z>
      </pixel_spacing>
      <contour_list>
         <contour primary="true">
            <level>0.017</level>
         </contour>
      </contour_list>
      <annotation_details>Map of the E461K mutant of GroEL made from 1477
      images picked from 7 cryo micrographs. Big-endian bypte order.</annotation_details>
      <details>::::EMDATABANK.org::::EMD-1095::::</details>
   </map>
   <interpretation>
      <modelling_list>
         <modelling>
            <initial_model>
               <access_code>1EMS</access_code>
            </initial_model>
            <refinement_protocol>RIGID BODY FIT</refinement_protocol>
            <details>The seven membered rings of GroEL (1EMS) were docked separately into the reconstructed density. This was done manually using the programme O.</details>
         </modelling>
      </modelling_list>
   </interpretation>
</emd>