| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | SPRING-8 BEAMLINE BL32XU |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SPring-8 |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BL32XU |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2018-10-19 |
Detector _diffrn_detector.type | DECTRIS EIGER X 9M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.0 |
| Software | |
Data processing #1 _software.classification | autoPROC (1.0.5) |
Data processing #2 _software.classification | STARANISO (2.3.36) |
Data processing #3 _software.classification | XDS (Jan 31, 2020 BUILT=20200417) |
Data reduction #1 _software.classification | pointless (1.12.2) |
Data reduction #2 _software.classification | Aimless (0.7.4) |
Data scaling _software.classification | autoPROC |
Phasing _software.classification | MOLREP (11.7.03) |
Model building _software.classification | Coot (0.9) |
Refinement _software.classification | PHENIX (1.19rc2_4022) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 2 2 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 117.345 247.352 52.251 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.00000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 123.676 |
High resolution limit [Å] _reflns.d_resolution_high | 2.509 |
| Rmerge | - |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 18245 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 7.30 |
Completeness [%] _reflns.percent_possible_obs | 86.3 |
Multiplicity _reflns.pdbx_redundancy | 5.1 |
CC(1/2) _reflns.pdbx_CC_half | 0.993 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7DAA |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2020-10-16 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 123.7 - 2.510 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2278 / 0.2833 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 7D9Z |