| 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 | APS BEAMLINE 21-ID-E |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 21-ID-E |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2021-03-04 |
Detector _diffrn_detector.type | DECTRIS EIGER2 X 16M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97 |
| Software | |
Data reduction _software.classification | HKL-2000 |
Data scaling _software.classification | HKL-2000 |
Phasing _software.classification | PHASER |
Refinement _software.classification | PHENIX (1.11.1_2575) |
| 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} | 112.913 112.913 239.508 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 119.750 |
High resolution limit [Å] _reflns.d_resolution_high | 3.570 |
Rmerge _reflns.pdbx_Rsym_value | 0.200 |
| Rmeas | - |
Rpim _reflns.pdbx_Rpim_I_all | 0.060 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 35105 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 13.00 |
Completeness [%] _reflns.percent_possible_obs | 99.7 |
Multiplicity _reflns.pdbx_redundancy | 13.0 |
CC(1/2) _reflns.pdbx_CC_half | 0.990 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7N4M |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2021-06-04 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 20.0 - 3.790 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2575 / 0.3168 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 5xwd, 4rir |