| Experiment | |
|---|---|
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 BM14 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  | BM14 Synchrotron beamline.  | 
Temperature [K] _diffrn.ambient_temp  | 100.0 The mean temperature in kelvins at which the intensities were  | 
Detector technology _diffrn_detector.detector  | IMAGE PLATE The general class of the radiation detector.  | 
Collection date _diffrn_detector.pdbx_collection_date  | 1997-09 The date of data collection.  | 
Detector _diffrn_detector.type  | MARRESEARCH The make, model or name of the detector device used.  | 
| Software | |
Data reduction #1 _software.classification  | MOSFLM The classification of the program according to its  | 
Data reduction #2 _software.classification  | CCP4 The classification of the program according to its  | 
Data scaling _software.classification  | CCP4 The classification of the program according to its  | 
Phasing _software.classification  | X-PLOR The classification of the program according to its  | 
Model building _software.classification  | X-PLOR The classification of the program according to its  | 
Refinement _software.classification  | X-PLOR (3.854) 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} | 86.0 Unit-cell length a corresponding to the structure reported in 146.3 Unit-cell length b corresponding to the structure reported in 211.9  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  | 0.99700  ÅThe radiation wavelength in angstroms.  | 
| Data quality metrics | Overall | 
|---|---|
     Low resolution limit [Å]       _reflns.d_resolution_low  |        20.000 The largest value in angstroms for the interplanar spacings  | 
     High resolution limit [Å]      _reflns.d_resolution_high  |         3.000 The smallest value in angstroms for the interplanar spacings  | 
     Rmerge                               _reflns.pdbx_Rsym_value  |         0.098 The R sym value as a decimal number.  | 
| Rmeas | - | 
| Rpim | - | 
| Total number of observations | - | 
     Total number unique                  _reflns.number_obs  |         50700 The number of reflections in the REFLN list (not the DIFFRN_REFLN  | 
     <I/σ(I)>                 _reflns.pdbx_netI_over_sigmaI  |          6.90 The mean of the ratio of the intensities to their  | 
     Completeness [%]                     _reflns.percent_possible_obs  |          94.2 The percentage of geometrically possible reflections represented  | 
     Multiplicity                         _reflns.pdbx_redundancy  |           2.6 Overall redundancy for this data set.  | 
| CC(1/2) | - | 
| Refinement | |
|---|---|
PDB entry ID _entry.id  | 2PDA | 
Deposition date _pdbx_database_status.recvd_initial_deposition_date  | 1998-11-10 | 
Resolution _refine.ls_d_res_low _refine.ls_d_res_high  | 10.0 - 3.000 Å | 
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free  | 0.2340 / 0.2970 | 
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 |