| 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 BL26B2 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SPring-8 |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BL26B2 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2020-11-25 |
Detector _diffrn_detector.type | RAYONIX MX225HE |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.74000 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | XDS |
Phasing _software.classification | PHASER |
Refinement _software.classification | PHENIX (1.19.2_4158) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 82.585 135.026 160.969 112.488 100.412 93.776 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.74000 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 49.290 | 3.470 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 3.270 | 3.270 |
| Rmerge | - | - |
Rmeas _reflns.pdbx_Rrim_I_all | 0.092 | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 187978 | 29851 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 10.60 | - |
Completeness [%] _reflns.percent_possible_obs | 97.2 | - |
Multiplicity _reflns.pdbx_redundancy | 4.0 | - |
CC(1/2) _reflns_shell.pdbx_CC_half | - | 0.526 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7W7D |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2021-12-04 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 49.3 - 3.400 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2546 / 0.2848 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 6LLL |