| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | SEALED TUBE |
Source details _diffrn_source.type | OXFORD DIFFRACTION ENHANCE ULTRA |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2012-01-18 |
Detector _diffrn_detector.type | AGILENT ATLAS CCD |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.54178 |
| Software | |
Data collection _software.classification | CrysalisPro |
Data reduction _software.classification | CrysalisPro |
Data scaling _software.classification | SCALA |
Phasing _software.classification | REFMAC |
Refinement #1 _software.classification | PHENIX (phenix.refine: 1.7.3_928) |
Refinement #2 _software.classification | REFMAC |
| 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} | 130.583 61.251 32.839 90.00 93.45 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54178 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 13.860 |
High resolution limit [Å] _reflns.d_resolution_high | 2.200 |
Rmerge _reflns.pdbx_Rsym_value | 0.101 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 13153 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 11.50 |
Completeness [%] _reflns.percent_possible_obs | 99.5 |
Multiplicity _reflns.pdbx_redundancy | 4.3 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 4G9N |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2012-07-24 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 13.9 - 2.200 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1502 / 0.2316 |
Structure solution method _refine.pdbx_method_to_determine_struct | FOURIER SYNTHESIS |
Starting model _refine.pdbx_starting_model | PDB ENTRY 4G9M |