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 19-BM 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 | 19-BM Synchrotron beamline. |
Software | |
Data reduction _software.classification | HKL-2000 The classification of the program according to its |
Data scaling _software.classification | SCALEPACK The classification of the program according to its |
Phasing _software.classification | AMoRE The classification of the program according to its |
Refinement _software.classification | REFMAC (5.1.24) The classification of the program according to its |
General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 21 1 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 56.944 Unit-cell length a corresponding to the structure reported in 118.638 Unit-cell length b corresponding to the structure reported in 71.651 Unit-cell length c corresponding to the structure reported in 90.00 Unit-cell angle alpha of the reported structure in degrees. 98.33 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 | NA |
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 | 3.260 The highest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 3.130 The smallest value in angstroms for the interplanar spacings | 3.130 The smallest value in angstroms for the interplanar spacings |
Rmerge _reflns_shell.pdbx_Rsym_value | - | 0.280 R sym value in percent. |
Rmeas | - | - |
Rpim | - | - |
Total number of observations | - | - |
Total number unique _reflns.number_obs | 15514 The number of reflections in the REFLN list (not the DIFFRN_REFLN | - |
<I/σ(I)> | - | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 93.8 The percentage of geometrically possible reflections represented | 64.7 The percentage of geometrically possible reflections represented |
Multiplicity | - | - |
CC(1/2) | - | - |
Refinement | |
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PDB entry ID _entry.id | 1R49 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2003-10-03 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 47.7 - 3.130 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2768 / 0.3392 |
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 |