| 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 | 2018-02-09 |
Detector _diffrn_detector.type | DECTRIS EIGER X 9M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.979400 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling #1 _software.classification | XDS |
Data scaling #2 _software.classification | pointless (1.11.6) |
Data scaling #3 _software.classification | Aimless (0.5.32) |
Phasing _software.classification | PHASER (2.7.17) |
Model building _software.classification | Coot (0.8.9.2) |
Refinement _software.classification | PHENIX (1.11.1) |
| 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} | 133.929 80.229 135.159 90.000 108.533 90.000 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97940 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 45.044 | 2.248 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.170 | 2.170 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.109 | - |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 141327 | 13856 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 8.48 | - |
Completeness [%] _reflns.percent_possible_obs | 97.6 | - |
Multiplicity _reflns.pdbx_redundancy | 3.5 | - |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.998 | 0.780 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7E5T |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2021-02-20 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 45.0 - 2.170 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1798 / 0.2352 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | Phm7 |