Experiment | |
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Method _exptl.method | X-RAY DIFFRACTION The method used in the experiment. |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH SINGLE WAVELENGTH, LAUE, or MAD. |
Source type _diffrn_source.source | SYNCHROTRON The general class of the radiation source. |
Source details _diffrn_source.type | APS BEAMLINE 22-ID The make, model or name of the source of radiation. |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS Synchrotron site. |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 22-ID Synchrotron beamline. |
Temperature [K] _diffrn.ambient_temp | 100.0 The mean temperature in kelvins at which the intensities were |
Detector technology _diffrn_detector.detector | CCD The general class of the radiation detector. |
Collection date _diffrn_detector.pdbx_collection_date | 2003-12-19 The date of data collection. |
Detector _diffrn_detector.type | MARMOSAIC 225 mm CCD The make, model or name of the detector device used. |
Software | |
Data reduction _software.classification | DENZO (Zbyszek Otwinowski; zbyszek@mix.swmed.edu) The classification of the program according to its |
Data scaling _software.classification | SCALEPACK (Zbyszek Otwinowski; zbyszek@mix.swmed.edu) The classification of the program according to its |
Phasing #1 _software.classification | SOLVE (2.03; 20-Sept-2002; Tom Terwilliger; terwilliger@LANL.gov) The classification of the program according to its |
Phasing #2 _software.classification | RESOLVE (2.03; 10-Aug-2002; Terwilliger, T. C; terwilliger@LANL.gov) The classification of the program according to its |
Phasing #3 _software.classification | SCA2STRUCTURE (PIPELINE) The classification of the program according to its |
Model building #1 _software.classification | ARP/wARP (refmac_5.2.0001; 24/04/2001; Murshudov, G.N.; ccp4@dl.ac.uk) The classification of the program according to its |
Model building #2 _software.classification | MolProbity (2003) The classification of the program according to its |
Refinement _software.classification | REFMAC (refmac_5.2.0001; 24/04/2001; Murshudov, G.N.; ccp4@dl.ac.uk) The classification of the program according to its |
General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 1 2 1 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 115.148 Unit-cell length a corresponding to the structure reported in 40.099 Unit-cell length b corresponding to the structure reported in 65.671 Unit-cell length c corresponding to the structure reported in 90.00 Unit-cell angle alpha of the reported structure in degrees. 122.29 Unit-cell angle beta of the reported structure in degrees. 90.00 Unit-cell angle gamma of the reported structure in degrees. |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.07000 ÅThe radiation wavelength in angstroms. |
Data quality metrics | Overall | OuterShell |
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Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 50.000 The largest value in angstroms for the interplanar spacings | 1.240 The highest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.200 The smallest value in angstroms for the interplanar spacings | 1.200 The smallest value in angstroms for the interplanar spacings |
Rmerge _reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value | 0.040 The R sym value as a decimal number. | 0.140 R sym value in percent. |
Rmeas | - | - |
Rpim | - | - |
Total number of observations | - | - |
Total number unique | - | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 34.30 The mean of the ratio of the intensities to their | 4.10 The ratio of the mean of the intensities of the reflections |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 80.5 The percentage of geometrically possible reflections represented | 21.5 The percentage of geometrically possible reflections represented |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 2.4 Overall redundancy for this data set. | 1.1 Redundancy for the current shell. |
CC(1/2) | - | - |
Refinement | |
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PDB entry ID _entry.id | 1VK1 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2004-04-13 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 55.9 - 1.200 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1650 / 0.1750 |
Structure solution method _refine.pdbx_method_to_determine_struct | SINGLE WAVELENGTH ANOMALOUS SCATTERING |