| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | RIGAKU MICROMAX-007 HF |
Temperature [K] _diffrn.ambient_temp | 95 |
Collection date _diffrn_detector.pdbx_collection_date | 2011-02-17 |
Detector _diffrn_detector.type | RIGAKU IMAGING PLATE |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | XDS |
Phasing #1 _software.classification | SHARP |
Phasing #2 _software.classification | DM |
Refinement _software.classification | CNS (1.3) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 32 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 265.15 265.15 157.64 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 30.000 |
High resolution limit [Å] _reflns.d_resolution_high | 3.300 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.180 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 94693 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 12.54 |
Completeness [%] _reflns.percent_possible_obs | 98.7 |
Multiplicity _reflns.pdbx_redundancy | 13.1 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 4D1Q |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2014-05-04 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 30.0 - 3.400 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2118 / 0.2543 |
Structure solution method _refine.pdbx_method_to_determine_struct | SIRAS |
Starting model _refine.pdbx_starting_model | NONE |