| 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 | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2017-12-15 |
Detector _diffrn_detector.type | RIGAKU SATURN 944+ |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.5418 |
| Software | |
Data reduction _software.classification | DIALS |
Data scaling _software.classification | Aimless |
Phasing _software.classification | MOLREP |
Refinement _software.classification | REFMAC (5.8.0189) |
| 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} | 211.968 129.872 131.322 90.00 103.17 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 127.870 |
High resolution limit [Å] _reflns.d_resolution_high | 2.500 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.228 |
| Rmeas | - |
Rpim _reflns.pdbx_Rpim_I_all | 0.089 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 119138 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 7.40 |
Completeness [%] _reflns.percent_possible_obs | 99.5 |
Multiplicity _reflns.pdbx_redundancy | 11.8 |
CC(1/2) _reflns.pdbx_CC_half | 0.982 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6SH0 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2019-08-05 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 59.8 - 2.500 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2528 / 0.2890 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 2xys |