| 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 | DIAMOND BEAMLINE I03 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | Diamond |
Beamline _diffrn_source.pdbx_synchrotron_beamline | I03 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2018-08-02 |
Detector _diffrn_detector.type | DECTRIS PILATUS3 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.28189 |
| Software | |
Data reduction _software.classification | XDS (Jan 26, 2018 BUILT=20180409) |
Data scaling _software.classification | autoPROC (1.0.5) |
Phasing #1 _software.classification | PHENIX (1.14-3260) |
Phasing #2 _software.classification | RESOLVE (2.15) |
Refinement _software.classification | PHENIX (1.14-3260) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 2 2 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 59.774 169.332 374.508 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.28189 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 187.000 |
High resolution limit [Å] _reflns.d_resolution_high | 2.630 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.078 |
| Rmeas | - |
Rpim _reflns.pdbx_Rpim_I_all | 0.029 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 33980 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 13.40 |
Completeness [%] _reflns.percent_possible_obs | 32.4 |
Multiplicity _reflns.pdbx_redundancy | 8.5 |
CC(1/2) _reflns.pdbx_CC_half | 0.998 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6QAJ |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2018-12-19 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 62.8 - 2.901 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2611 / 0.2910 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |
Starting model _refine.pdbx_starting_model | 1LYD, 2YVR |