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 | ESRF BEAMLINE ID29 The make, model or name of the source of radiation. |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ESRF Synchrotron site. |
Beamline _diffrn_source.pdbx_synchrotron_beamline | ID29 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 | 2009-03-16 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 | MOSFLM (Andrew G.W. Leslie; andrew@mrc-lmb.cam.ac.uk) The classification of the program according to its |
Data scaling _software.classification | SCALA (3.2.25; 21/9/2006; Phil R. Evans; pre@mrc-lmb.cam.ac.uk) The classification of the program according to its |
Phasing _software.classification | PHASER (2.1.1; Thu Nov 22 16:35:27 2007; Randy J. Read; cimr-phaser@lists.cam.ac.uk) The classification of the program according to its |
Refinement #1 _software.classification | TNT (Dale E. Tronrud) The classification of the program according to its |
Refinement #2 _software.classification | BUSTER (2.8.0) 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} | 245.165 Unit-cell length a corresponding to the structure reported in 137.782 Unit-cell length b corresponding to the structure reported in 158.958 Unit-cell length c corresponding to the structure reported in 90.00 Unit-cell angle alpha of the reported structure in degrees. 92.99 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 | 0.97600 ÅThe radiation wavelength in angstroms. |
Data quality metrics | Overall |
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Low resolution limit [Å] _reflns.d_resolution_low | 158.742 The largest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high | 3.200 The smallest value in angstroms for the interplanar spacings |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.093 The R value for merging intensities satisfying the observed |
Rmeas | - |
Rpim | - |
Total number of observations | - |
Total number unique _reflns.number_obs | 83937 The number of reflections in the REFLN list (not the DIFFRN_REFLN |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 11.10 The mean of the ratio of the intensities to their |
Completeness [%] _reflns.percent_possible_obs | 96.5 The percentage of geometrically possible reflections represented |
Multiplicity _reflns.pdbx_redundancy | 2.5 Overall redundancy for this data set. |
CC(1/2) | - |
Refinement | |
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PDB entry ID _entry.id | 3LA6 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2010-01-06 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 49.7 - 3.200 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1859 / 0.2234 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | PDB ENTRY 2VED |