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 24-ID-E 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 | 24-ID-E Synchrotron beamline. |
Temperature [K] _diffrn.ambient_temp | 100 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 | 2010-01-01 The date of data collection. |
Detector _diffrn_detector.type | ADSC QUANTUM 315r The make, model or name of the detector device used. |
Software | |
Data reduction _software.classification | HKL-2000 The classification of the program according to its |
Data scaling _software.classification | HKL-2000 The classification of the program according to its |
Refinement _software.classification | PHENIX (phenix.refine: 1.6.1_357) 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} | 45.188 Unit-cell length a corresponding to the structure reported in 93.541 Unit-cell length b corresponding to the structure reported in 104.650 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 | NA |
Data quality metrics | Overall | OuterShell |
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Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 32.685 The largest value in angstroms for the interplanar spacings | 1.630 The highest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.600 The smallest value in angstroms for the interplanar spacings | 1.600 The smallest value in angstroms for the interplanar spacings |
Rmerge | - | - |
Rmeas | - | - |
Rpim | - | - |
Total number of observations | - | - |
Total number unique _reflns.number_obs | 58218 The number of reflections in the REFLN list (not the DIFFRN_REFLN | - |
<I/σ(I)> _reflns_shell.meanI_over_sigI_obs | - | 2.40 The ratio of the mean of the intensities of the reflections |
Completeness [%] | - | - |
Multiplicity _reflns_shell.pdbx_redundancy | - | 4.8 Redundancy for the current shell. |
CC(1/2) | - | - |
Refinement | |
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PDB entry ID _entry.id | 3U6P |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2011-10-12 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 29.9 - 1.600 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1926 / 0.2054 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | WARNING: no starting model (for MR) given |