| 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 | BESSY BEAMLINE 14.1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | BESSY |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 14.1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2018-06-20 |
Detector _diffrn_detector.type | DECTRIS PILATUS 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.979568 |
| Software | |
Data processing _software.classification | autoXDS (v2.0) |
Data reduction _software.classification | XDS (v2.0) |
Data scaling _software.classification | XSCALE (v2.0) |
Phasing _software.classification | SHELX (v2019) |
Model building _software.classification | Coot (v0.96) |
Refinement _software.classification | PHENIX (v1.20.1_4487) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 65 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 135.651 135.651 335.436 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97957 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 117.433 |
High resolution limit [Å] _reflns.d_resolution_high | 2.680 |
| Rmerge | - |
Rmeas _reflns.pdbx_Rrim_I_all | 0.227 |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 96250 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 13.68 |
Completeness [%] _reflns.percent_possible_obs | 99.7 |
Multiplicity _reflns.pdbx_redundancy | 20.0 |
CC(1/2) _reflns.pdbx_CC_half | 0.999 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 8CAR |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2023-01-24 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 48.1 - 2.680 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2968 / 0.3366 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |