| 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-F |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 21-ID-F |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2019-04-17 |
Detector _diffrn_detector.type | MAR CCD 300 mm |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97857 |
| Software | |
Data reduction _software.classification | HKL-2000 (2.3.12) |
Data scaling _software.classification | HKL-2000 (2.3.12) |
Phasing _software.classification | PHASER (2.7.17) |
Refinement _software.classification | REFMAC (5.8.0158) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 21 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 92.092 42.065 165.794 90.00 90.05 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97857 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 165.790 |
High resolution limit [Å] _reflns.d_resolution_high | 3.400 |
| Rmerge | - |
Rmeas _reflns.pdbx_Rrim_I_all | 0.113 |
Rpim _reflns.pdbx_Rpim_I_all | 0.056 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 12807 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 13.90 |
Completeness [%] _reflns.percent_possible_obs | 99.9 |
Multiplicity _reflns.pdbx_redundancy | 4.0 |
CC(1/2) _reflns.pdbx_CC_half | 0.985 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 9E6O |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2024-10-30 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 165.8 - 3.600 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2857 / 0.3029 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | WARNING: no starting model (for MR) given |