| 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 23-ID-B |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 23-ID-B |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2015-11-19 |
Detector _diffrn_detector.type | RAYONIX MX300HE |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.03323 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | XSCALE |
Phasing _software.classification | PHASER |
Refinement _software.classification | REFMAC (5.8.0158) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 54.93 106.69 234.63 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.03323 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 20.000 |
High resolution limit [Å] _reflns.d_resolution_high | 3.200 |
| Rmerge | - |
Rmeas _reflns.pdbx_Rrim_I_all | 0.650 |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 23107 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 4.48 |
Completeness [%] _reflns.percent_possible_obs | 98.8 |
Multiplicity _reflns.pdbx_redundancy | 9.6 |
CC(1/2) _reflns.pdbx_CC_half | 0.980 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6BKJ |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2017-11-08 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 18.0 - 3.200 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2773 / 0.3532 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 6BDT |