| 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 I04-1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | Diamond |
Beamline _diffrn_source.pdbx_synchrotron_beamline | I04-1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2018-09-09 |
Detector _diffrn_detector.type | DECTRIS PILATUS 6M-F |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.91587 |
| Software | |
Data reduction _software.classification | xia2 |
Data scaling #1 _software.classification | STARANISO |
Data scaling #2 _software.classification | DIALS |
Phasing #1 _software.classification | MoRDa |
Phasing #2 _software.classification | PHASER |
Refinement _software.classification | REFMAC (5.8.0267) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 43 21 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 109.041 109.041 105.163 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.91587 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 109.100 |
High resolution limit [Å] _reflns.d_resolution_high | 2.840 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.112 |
| Rmeas | - |
Rpim _reflns.pdbx_Rpim_I_all | 0.046 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 9545 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 13.60 |
Completeness [%] _reflns.percent_possible_obs | 89.7 |
Multiplicity _reflns.pdbx_redundancy | 12.6 |
CC(1/2) _reflns.pdbx_CC_half | 0.999 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7PB3 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2021-07-30 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 77.2 - 2.841 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2513 / 0.3296 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 6j7c |