| 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 | APS BEAMLINE 14-BM-C |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 14-BM-C |
Temperature [K] _diffrn.ambient_temp | 200 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2013-08-09 |
Detector _diffrn_detector.type | PSI PILATUS 6M |
| Software | |
Data collection _software.classification | APS |
Data reduction _software.classification | XDS |
Data scaling _software.classification | XDS |
Phasing _software.classification | SHELXS |
Refinement _software.classification | PHENIX (phenix.refine: dev_1555) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 61 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 97.85 97.85 298.24 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97930 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 73.703 |
High resolution limit [Å] _reflns.d_resolution_high | 2.699 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.040 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 43001 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 15.80 |
Completeness [%] _reflns.percent_possible_obs | 97.4 |
Multiplicity _reflns.pdbx_redundancy | 2.7 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 4O2X |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2013-12-17 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 73.7 - 2.700 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1850 / 0.2390 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD + MR |
Starting model _refine.pdbx_starting_model | PDB ID 3W3I, 1MG9, 1MBX and 3DNJ |