| 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 | SSRF BEAMLINE BL19U1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SSRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BL19U1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CMOS |
Collection date _diffrn_detector.pdbx_collection_date | 2019-11-10 |
Detector _diffrn_detector.type | SDMS |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.03836 |
| Software | |
Data reduction _software.classification | HKL-2000 |
Data scaling _software.classification | HKL-2000 |
Phasing _software.classification | CNS |
Refinement _software.classification | PHENIX (1.17.1_3660) |
| 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} | 125.037 53.601 74.892 90.00 92.89 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.03836 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 50.000 | 2.280 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.190 | 2.190 |
Rmerge _reflns_shell.Rmerge_I_obs | - | 0.836 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.093 | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 25170 | 2482 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 21.02 | - |
Completeness [%] _reflns.percent_possible_obs | 98.8 | - |
Multiplicity _reflns.pdbx_redundancy | 6.4 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7CP2 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2020-08-05 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 46.8 - 2.190 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2188 / 0.2461 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |