| 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 | APS BEAMLINE 19-ID |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 19-ID |
Temperature [K] _diffrn.ambient_temp | 163 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2020-07-18 |
Detector _diffrn_detector.type | APEX II CCD |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97925 |
| Software | |
Data reduction _software.classification | HKL-3000 |
Data scaling _software.classification | HKL-3000 |
Phasing _software.classification | MOLREP |
Refinement _software.classification | REFMAC (5.8.0238) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 21 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 37.820 57.532 65.631 90.00 90.58 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97925 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 37.850 | 2.900 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.900 | 2.900 |
Rmerge _reflns.pdbx_Rsym_value | 0.120 | - |
| Rmeas | - | - |
Rpim _reflns.pdbx_Rpim_I_all | 0.060 | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 4894 | 4894 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 10.40 | - |
Completeness [%] _reflns.percent_possible_obs | 86.0 | - |
Multiplicity _reflns.pdbx_redundancy | 4.6 | - |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.950 | 0.950 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7UOS |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2022-04-13 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 37.9 - 2.900 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2219 / 0.2946 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 5drb |