| 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 | 2011-03-16 |
Detector _diffrn_detector.type | AGILENT ATLAS CCD |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.7107 |
| Software | |
Data collection _software.classification | CrysalisPro |
Data reduction _software.classification | MOSFLM |
Data scaling _software.classification | Aimless |
Phasing _software.classification | PHASER |
Refinement _software.classification | PHENIX (1.14_3260: ???) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | I 21 3 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 78.14 78.14 78.14 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.71070 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 16.660 |
High resolution limit [Å] _reflns.d_resolution_high | 2.100 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.127 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 4702 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 5.50 |
Completeness [%] _reflns.percent_possible_obs | 99.0 |
Multiplicity _reflns.pdbx_redundancy | 1.8 |
CC(1/2) _reflns.pdbx_CC_half | 0.980 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6QRK |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2019-02-19 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 15.9 - 2.102 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1926 / 0.2482 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 2BN3 |