| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | SLS BEAMLINE X06SA |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SLS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | X06SA |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2010-03-08 |
Detector _diffrn_detector.type | DECTRIS |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | XSCALE |
Phasing #1 _software.classification | SHARP |
Phasing #2 _software.classification | PHASER |
Phasing #3 _software.classification | DM |
Phasing #4 _software.classification | CNS |
Phasing #5 _software.classification | PHENIX |
Model building #1 _software.classification | SHARP |
Model building #2 _software.classification | PHASER |
Model building #3 _software.classification | DM |
Model building #4 _software.classification | CNS |
Model building #5 _software.classification | PHENIX |
Refinement _software.classification | CNS (1.3) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 1 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 320.52 362.21 412.11 90.00 109.61 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.00000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 100.000 |
High resolution limit [Å] _reflns.d_resolution_high | 3.930 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.150 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 364651 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 6.80 |
Completeness [%] _reflns.percent_possible_obs | 93.0 |
Multiplicity _reflns.pdbx_redundancy | 3.4 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 4V5O |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2010-11-26 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 25.0 - 3.930 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2065 / 0.2431 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |
Starting model _refine.pdbx_starting_model | PDB ENTRY 2J02 |