| 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 | DIAMOND BEAMLINE I03 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | Diamond |
Beamline _diffrn_source.pdbx_synchrotron_beamline | I03 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2019-11-27 |
Detector _diffrn_detector.type | DECTRIS EIGER2 XE 16M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.980105 |
| Software | |
Data reduction _software.classification | XDS (Mar 15, 2019 (BUILT 20190806)) |
Data scaling _software.classification | Aimless (0.7.4) |
Phasing _software.classification | PHASER (2.6.0) |
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} | 168.874 108.793 100.974 90.000 120.718 90.000 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.98011 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 86.810 | 2.430 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.297 | 2.300 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.133 | - |
Rmeas _reflns.pdbx_Rrim_I_all | 0.143 | - |
Rpim _reflns.pdbx_Rpim_I_all | 0.054 | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 53823 | 1511 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 11.20 | - |
Completeness [%] _reflns.percent_possible_obs | 92.3 | - |
Multiplicity _reflns.pdbx_redundancy | 7.0 | - |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.997 | 0.512 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7A0V |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2020-08-11 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 86.8 - 2.300 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1964 / 0.2523 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 1i9y, 3n9v, 3mtc, 4cmn, 4nc2 |