| 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 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2017-05-11 |
Detector _diffrn_detector.type | DECTRIS PILATUS 200K |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.54 |
| Software | |
Data reduction _software.classification | HKL-3000 |
Data scaling _software.classification | HKL-3000 |
Phasing _software.classification | AutoSol |
Refinement #1 _software.classification | PHENIX (1.16_3549) |
Refinement #2 _software.classification | PHENIX (1.16_3549) |
| 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} | 91.760 82.097 81.831 90.000 103.407 90.000 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 36.480 |
High resolution limit [Å] _reflns.d_resolution_high | 1.870 |
| Rmerge | - |
Rmeas _reflns.pdbx_Rrim_I_all | 0.097 |
Rpim _reflns.pdbx_Rpim_I_all | 0.023 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 48489 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 51.50 |
Completeness [%] _reflns.percent_possible_obs | 99.2 |
Multiplicity _reflns.pdbx_redundancy | 16.5 |
CC(1/2) _reflns.pdbx_CC_half | 0.953 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6VPB |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2020-02-02 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 36.5 - 1.870 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1830 / 0.2222 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |