| 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 NOVA |
Temperature [K] _diffrn.ambient_temp | 293 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2017-05-10 |
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 |
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} | 128.309 128.309 115.807 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 | 13.820 |
High resolution limit [Å] _reflns.d_resolution_high | 2.400 |
Rmerge _reflns.pdbx_Rsym_value | 0.068 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 36628 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 12.20 |
Completeness [%] _reflns.percent_possible_obs | 90.2 |
Multiplicity _reflns.pdbx_redundancy | 3.6 |
CC(1/2) _reflns.pdbx_CC_half | 0.988 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6R0I |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2019-03-13 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 13.8 - 2.400 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1474 / 0.1965 |
Structure solution method _refine.pdbx_method_to_determine_struct | FOURIER SYNTHESIS |