| Experiment | |
|---|---|
Method _exptl.method  | X-RAY DIFFRACTION The method used in the experiment.  | 
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol  | MAD SINGLE WAVELENGTH, LAUE, or MAD.  | 
Source type _diffrn_source.source  | SYNCHROTRON The general class of the radiation source.  | 
Source details _diffrn_source.type  | ALS BEAMLINE 8.3.1 The make, model or name of the source of radiation.  | 
Synchrotron site _diffrn_source.pdbx_synchrotron_site  | ALS Synchrotron site.  | 
Beamline _diffrn_source.pdbx_synchrotron_beamline  | 8.3.1 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  | 2002-05-23 The date of data collection.  | 
Detector _diffrn_detector.type  | ADSC QUANTUM 4 The make, model or name of the detector device used.  | 
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list  | 1.1271, 0.9791, 0.9790 Comma separated list of wavelengths or wavelength range.  | 
| Software | |
Data reduction #1 _software.classification  | DENZO The classification of the program according to its  | 
Data reduction #2 _software.classification  | MOSFLM The classification of the program according to its  | 
Data reduction #3 _software.classification  | ELVES The classification of the program according to its  | 
Data scaling #1 _software.classification  | SCALEPACK The classification of the program according to its  | 
Data scaling #2 _software.classification  | CCP4 (SCALA) The classification of the program according to its  | 
Data scaling #3 _software.classification  | ELVES The classification of the program according to its  | 
Phasing #1 _software.classification  | MLPHARE The classification of the program according to its  | 
Phasing #2 _software.classification  | ELVES The classification of the program according to its  | 
Refinement _software.classification  | CNS (1.1; 1998; Axel T. Brunger; axel.brunger@yale.edu) The classification of the program according to its  | 
| General information | |
Spacegroup name _symmetry.space_group_name_H-M  | P 43 21 2 Hermann-Mauguin space-group symbol. Note that the  | 
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 103.516 Unit-cell length a corresponding to the structure reported in 103.516 Unit-cell length b corresponding to the structure reported in 249.738  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  | 1.12710 The radiation wavelength in angstroms. 0.97910 The radiation wavelength in angstroms. 0.97900  ÅThe radiation wavelength in angstroms.  | 
| Data quality metrics | Overall | OuterShell | 
|---|---|---|
     Low resolution limit [Å]       _reflns.d_resolution_low _reflns_shell.d_res_low  |        95.630 The largest value in angstroms for the interplanar spacings  |         2.640 The highest value in angstroms for the interplanar spacings  | 
     High resolution limit [Å]      _reflns.d_resolution_high _reflns_shell.d_res_high  |         2.600 The smallest value in angstroms for the interplanar spacings  |         2.600 The smallest value in angstroms for the interplanar spacings  | 
     Rmerge                               _reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value  |         0.063 The R sym value as a decimal number.  |         0.620 R sym value in percent.  | 
| Rmeas | - | - | 
| Rpim | - | - | 
| Total number of observations | - | - | 
     Total number unique                  _reflns.number_obs _reflns_shell.number_unique_all  |         79708 The number of reflections in the REFLN list (not the DIFFRN_REFLN  |          2772 The total number of measured reflections which are symmetry-  | 
     <I/σ(I)>                 _reflns_shell.meanI_over_sigI_obs  | - |          1.50 The ratio of the mean of the intensities of the reflections  | 
     Completeness [%]                     _reflns.percent_possible_obs _reflns_shell.percent_possible_all  |          96.3 The percentage of geometrically possible reflections represented  |          70.5 The percentage of geometrically possible reflections represented  | 
     Multiplicity                         _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy  |           5.1 Overall redundancy for this data set.  |           2.5 Redundancy for the current shell.  | 
| CC(1/2) | - | - | 
| Refinement | |
|---|---|
PDB entry ID _entry.id  | 1SF8 | 
Deposition date _pdbx_database_status.recvd_initial_deposition_date  | 2004-02-19 | 
Resolution _refine.ls_d_res_low _refine.ls_d_res_high  | 29.9 - 2.600 Å | 
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free  | 0.2230 / 0.2610 | 
Structure solution method _refine.pdbx_method_to_determine_struct  | MAD |