| 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 | ESRF BEAMLINE ID23-2 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ESRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | ID23-2 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2020-10-07 |
Detector _diffrn_detector.type | DECTRIS PILATUS3 X 2M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.87313 |
| Software | |
Data reduction _software.classification | XDS (VERSION Jan 31, 2020) |
Data scaling _software.classification | XSCALE (VERSION Jan 31, 2020) |
Phasing _software.classification | MOLREP (Vers 11.6.03; 30.04.2018) |
Refinement _software.classification | REFMAC (5.8.0267) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | I 41 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 80.30 80.30 89.89 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.87313 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 50.000 | 2.360 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.300 | 2.300 |
| Rmerge | - | - |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.102 | 1.962 |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 12725 | 1884 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 10.52 | - |
Completeness [%] _reflns.percent_possible_obs | 99.8 | - |
Multiplicity _reflns.pdbx_redundancy | 5.6 | - |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.998 | 0.457 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7BK7 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2021-01-15 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 35.3 - 2.300 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2082 / 0.2676 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 6NFQ |