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 21-ID-F 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 | 21-ID-F Synchrotron beamline. |
Software | |
Data collection _software.classification | HKL-2000 The classification of the program according to its |
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 |
Phasing _software.classification | MOLREP The classification of the program according to its |
Refinement _software.classification | REFMAC (5.2.0019) The classification of the program according to its |
General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 41 21 2 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 53.978 Unit-cell length a corresponding to the structure reported in 53.978 Unit-cell length b corresponding to the structure reported in 162.583 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 |
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Low resolution limit [Å] _reflns.d_resolution_low | 50.000 The largest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high | 2.350 The smallest value in angstroms for the interplanar spacings |
Rmerge _reflns.pdbx_Rsym_value | 0.120 The R sym value as a decimal number. |
Rmeas | - |
Rpim | - |
Total number of observations | - |
Total number unique _reflns.number_obs | 10736 The number of reflections in the REFLN list (not the DIFFRN_REFLN |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 22.70 The mean of the ratio of the intensities to their |
Completeness [%] | - |
Multiplicity _reflns.pdbx_redundancy | 10.7 Overall redundancy for this data set. |
CC(1/2) | - |
Refinement | |
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PDB entry ID _entry.id | 3KYT |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2009-12-07 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 19.8 - 2.350 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1975 / 0.2980 |
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 |