| Experiment | |
|---|---|
Method _exptl.method  | X-RAY DIFFRACTION The method used in the experiment.  | 
Source type _diffrn_source.source  | SYNCHROTRON The general class of the radiation source.  | 
Source details _diffrn_source.type  | CHESS BEAMLINE F1 The make, model or name of the source of radiation.  | 
Synchrotron site _diffrn_source.pdbx_synchrotron_site  | CHESS Synchrotron site.  | 
Beamline _diffrn_source.pdbx_synchrotron_beamline  | F1 Synchrotron beamline.  | 
Temperature [K] _diffrn.ambient_temp  | 300 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  | 1994-04 The date of data collection.  | 
Detector _diffrn_detector.type  | FUJI The make, model or name of the detector device used.  | 
| Software | |
Data reduction _software.classification  | PURDUE (OSC) The classification of the program according to its  | 
Data scaling _software.classification  | PROGRAMS (DEVELOPED BY M. G. ROSSMANN AT PURDUE UNIVERSITY) The classification of the program according to its  | 
Phasing _software.classification  | RAVE The classification of the program according to its  | 
Model building _software.classification  | RAVE The classification of the program according to its  | 
Refinement _software.classification  | X-PLOR (3.1) 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} | 407.06 Unit-cell length a corresponding to the structure reported in 399.68 Unit-cell length b corresponding to the structure reported in 285.97  Unit-cell length c corresponding to the structure reported in 90.0 Unit-cell angle alpha of the reported structure in degrees. 129.1 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  | 0.91800  ÅThe radiation wavelength in angstroms.  | 
| Data quality metrics | Overall | 
|---|---|
     Low resolution limit [Å]       _reflns.d_resolution_low  |        30.000 The largest value in angstroms for the interplanar spacings  | 
     High resolution limit [Å]      _reflns.d_resolution_high  |         3.500 The smallest value in angstroms for the interplanar spacings  | 
     Rmerge                               _reflns.pdbx_Rmerge_I_obs  |         0.084 The R value for merging intensities satisfying the observed  | 
| Rmeas | - | 
| Rpim | - | 
| Total number of observations | - | 
     Total number unique                  _reflns.number_obs  |         92395 The number of reflections in the REFLN list (not the DIFFRN_REFLN  | 
| <I/σ(I)> | - | 
     Completeness [%]                     _reflns.percent_possible_obs  |          18.0 The percentage of geometrically possible reflections represented  | 
     Multiplicity                         _reflns.pdbx_redundancy  |           1.2 Overall redundancy for this data set.  | 
| CC(1/2) | - | 
| Refinement | |
|---|---|
PDB entry ID _entry.id  | 1A6C | 
Deposition date _pdbx_database_status.recvd_initial_deposition_date  | 1998-02-23 | 
Resolution _refine.ls_d_res_low _refine.ls_d_res_high  | 8.0 - 3.500 Å | 
R _refine.ls_R_factor_obs  | 0.2690 | 
Rwork _refine.ls_R_factor_R_work  | 0.2690 WARNING: no Rfree given?  | 
Structure solution method _refine.pdbx_method_to_determine_struct  | MOLECULAR REPLACEMENT | 
Starting model (for MR) _refine.pdbx_starting_model  | STRUCTURE OF COMOVIRUS CPMV |