Experiment | |
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Method _exptl.method | X-RAY DIFFRACTION The method used in the experiment. |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | MAD 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 23-ID-D 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 | 23-ID-D Synchrotron beamline. |
Temperature [K] _diffrn.ambient_temp | 200.0 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 | 2012-12-03 The date of data collection. |
Detector _diffrn_detector.type | MARMOSAIC 300 mm CCD The make, model or name of the detector device used. |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.283, 1.2833, 1.232 Comma separated list of wavelengths or wavelength range. |
Software | |
Data reduction _software.classification | DENZO (Zbyszek Otwinowski; hkl@hkl-xray.com) The classification of the program according to its |
Data scaling _software.classification | SCALEPACK (Zbyszek Otwinowski; hkl@hkl-xray.com) The classification of the program according to its |
Phasing _software.classification | PHENIX The classification of the program according to its |
Refinement _software.classification | PHENIX (1.8_1069; Paul D. Adams; PDAdams@lbl.gov) The classification of the program according to its |
General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 21 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 52.823 Unit-cell length a corresponding to the structure reported in 77.857 Unit-cell length b corresponding to the structure reported in 133.661 Unit-cell length c corresponding to the structure reported in 90.0 Unit-cell angle alpha of the reported structure in degrees. 90.0 Unit-cell angle beta of the reported structure in degrees. 90.0 Unit-cell angle gamma of the reported structure in degrees. |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.07200 The radiation wavelength in angstroms. 1.28300 The radiation wavelength in angstroms. 1.28330 The radiation wavelength in angstroms. 1.23200 ÅThe radiation wavelength in angstroms. |
Data quality metrics | Overall |
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Low resolution limit [Å] _reflns.d_resolution_low | 43.712 The largest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high | 1.983 The smallest value in angstroms for the interplanar spacings |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.118 The R value for merging intensities satisfying the observed |
Rmeas | - |
Rpim | - |
Total number of observations | - |
Total number unique _reflns.number_obs | 38121 The number of reflections in the REFLN list (not the DIFFRN_REFLN |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 7.20 The mean of the ratio of the intensities to their |
Completeness [%] _reflns.percent_possible_obs | 100.0 The percentage of geometrically possible reflections represented |
Multiplicity _reflns.pdbx_redundancy | 7.1 Overall redundancy for this data set. |
CC(1/2) | - |
Refinement | |
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PDB entry ID _entry.id | 4IXJ |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2013-01-25 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 43.7 - 1.983 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1830 / 0.2300 |
Structure solution method _refine.pdbx_method_to_determine_struct | MAD |