| 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 21-ID-D |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 21-ID-D |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2021-03-05 |
Detector _diffrn_detector.type | DECTRIS EIGER X 9M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.619 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | XDS |
Phasing _software.classification | SHELXT |
Refinement _software.classification | PHENIX (1.19.2_4158) |
| 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} | 13.797 13.456 27.690 90.000 99.583 90.000 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.61900 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 11.440 | 0.756 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 0.730 | 0.730 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.115 | 0.123 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 13439 | 1286 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 32.17 | - |
Completeness [%] _reflns.percent_possible_obs | 94.5 | - |
Multiplicity _reflns.pdbx_redundancy | 3.1 | - |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.969 | 0.969 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7TLS |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2022-01-18 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 11.4 - 0.730 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1251 / 0.1293 |
Structure solution method _refine.pdbx_method_to_determine_struct | AB INITIO PHASING |