| 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 FR-E+ SUPERBRIGHT |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 2015-03-09 |
Detector _diffrn_detector.type | RIGAKU RAXIS IV++ |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 2.2898 |
| Software | |
Data processing _software.classification | iMOSFLM |
Data scaling _software.classification | Aimless |
Phasing _software.classification | CRANK2 |
Refinement _software.classification | PHENIX (1.11.1-2575) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 53.61 69.57 69.57 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 2.28980 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 42.465 |
High resolution limit [Å] _reflns.d_resolution_high | 2.550 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.160 |
| Rmeas | - |
Rpim _reflns.pdbx_Rpim_I_all | 0.040 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 16353 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 10.20 |
Completeness [%] _reflns.percent_possible_obs | 99.9 |
Multiplicity _reflns.pdbx_redundancy | 27.0 |
CC(1/2) _reflns.pdbx_CC_half | 0.998 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5Y2J |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2017-07-26 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 42.5 - 2.550 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2221 / 0.2582 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |