| 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 MASSIF-3 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ESRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | MASSIF-3 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2018-07-27 |
Detector _diffrn_detector.type | DECTRIS EIGER X 4M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.967700 |
| Software | |
Phasing _software.classification | BALBES (1.0.0) |
Model building #1 _software.classification | PHENIX (1.15-3459-000) |
Model building #2 _software.classification | ARP/wARP (7.6) |
Refinement _software.classification | BUSTER (2.10.3 (19-MAR-2020)) |
| 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} | 65.959 79.357 91.769 96.00 97.29 112.41 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.96770 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 72.340 | 2.432 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.391 | 2.391 |
| Rmerge | - | - |
Rmeas _reflns_shell.pdbx_Rrim_I_all | - | 0.120 |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 61346 | 237394 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 2.17 | - |
Completeness [%] _reflns.percent_possible_obs | 92.2 | - |
Multiplicity _reflns.pdbx_redundancy | 3.9 | - |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.993 | 0.993 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7BVI |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2020-04-10 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 72.3 - 2.391 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1686 / 0.2280 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 5jci |