| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | SEALED TUBE |
Source details _diffrn_source.type | OXFORD DIFFRACTION SUPERNOVA |
Temperature [K] _diffrn.ambient_temp | 293 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2018-05-29 |
Detector _diffrn_detector.type | AGILENT ATLAS CCD |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.5419 |
| Software | |
Data reduction _software.classification | CrysalisPro |
Data scaling _software.classification | Aimless |
Phasing _software.classification | REFMAC |
Refinement _software.classification | REFMAC (5.8.0238) |
| 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} | 128.207 128.207 115.941 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54190 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 13.700 |
High resolution limit [Å] _reflns.d_resolution_high | 2.350 |
Rmerge _reflns.pdbx_Rsym_value | 0.078 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 37798 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 13.70 |
Completeness [%] _reflns.percent_possible_obs | 93.2 |
Multiplicity _reflns.pdbx_redundancy | 5.3 |
CC(1/2) _reflns.pdbx_CC_half | 0.994 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6S4O |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2019-06-28 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 13.7 - 2.350 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1527 / 0.2074 |
Structure solution method _refine.pdbx_method_to_determine_struct | FOURIER SYNTHESIS |