| 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  | SLS BEAMLINE X06SA The make, model or name of the source of radiation.  | 
Synchrotron site _diffrn_source.pdbx_synchrotron_site  | SLS Synchrotron site.  | 
Beamline _diffrn_source.pdbx_synchrotron_beamline  | X06SA Synchrotron beamline.  | 
Temperature [K] _diffrn.ambient_temp  | 90 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  | 2005-10-01 The date of data collection.  | 
Detector _diffrn_detector.type  | MAR CCD 225 mm The make, model or name of the detector device used.  | 
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list  | 0.98010 Comma separated list of wavelengths or wavelength range.  | 
| Software | |
Data reduction _software.classification  | XDS The classification of the program according to its  | 
Data scaling #1 _software.classification  | XSCALE (Wolfgang Kabsch) The classification of the program according to its  | 
Data scaling #2 _software.classification  | XDS The classification of the program according to its  | 
Phasing _software.classification  | MOLREP (A. Vagin; alexei@ysbl.york.ac.uk) The classification of the program according to its  | 
Refinement _software.classification  | CNS (1.1; 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 41 21 2 Hermann-Mauguin space-group symbol. Note that the  | 
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 411.79 Unit-cell length a corresponding to the structure reported in 411.79 Unit-cell length b corresponding to the structure reported in 173.16  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  | 0.98010  ÅThe radiation wavelength in angstroms.  | 
| Data quality metrics | Overall | 
|---|---|
     Low resolution limit [Å]       _reflns.d_resolution_low  |       148.830 The largest value in angstroms for the interplanar spacings  | 
     High resolution limit [Å]      _reflns.d_resolution_high  |         3.300 The smallest value in angstroms for the interplanar spacings  | 
     Rmerge                               _reflns.pdbx_Rmerge_I_obs  |         0.162 The R value for merging intensities satisfying the observed  | 
| Rmeas | - | 
| Rpim | - | 
| Total number of observations | - | 
     Total number unique                  _reflns.number_obs  |        214963 The number of reflections in the REFLN list (not the DIFFRN_REFLN  | 
     <I/σ(I)>                 _reflns.pdbx_netI_over_sigmaI  |          7.48 The mean of the ratio of the intensities to their  | 
     Completeness [%]                     _reflns.percent_possible_obs  |          97.1 The percentage of geometrically possible reflections represented  | 
     Multiplicity                         _reflns.pdbx_redundancy  |           6.5 Overall redundancy for this data set.  | 
| CC(1/2) | - | 
| Refinement | |
|---|---|
PDB entry ID _entry.id  | 2E5L | 
Deposition date _pdbx_database_status.recvd_initial_deposition_date  | 2006-12-21 | 
Resolution _refine.ls_d_res_low _refine.ls_d_res_high  | 148.8 - 3.300 Å | 
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free  | 0.2590 / 0.3010 | 
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 |