| 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 I04 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | Diamond |
Beamline _diffrn_source.pdbx_synchrotron_beamline | I04 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2018-02-19 |
Detector _diffrn_detector.type | DECTRIS PILATUS 6M-F |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97950 |
| Software | |
Data collection _software.classification | autoPROC (1.0.5) |
Data scaling _software.classification | Aimless (0.5.32) |
Phasing _software.classification | AutoSol (1.13_2998) |
Model building _software.classification | BUCCANEER (CCP4 7.0.062) |
Refinement _software.classification | PHENIX (1.13_2998) |
| 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} | 56.881 56.881 132.270 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97950 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 43.132 |
High resolution limit [Å] _reflns.d_resolution_high | 2.416 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.073 |
| Rmeas | - |
Rpim _reflns.pdbx_Rpim_I_all | 0.033 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 7721 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 13.60 |
Completeness [%] _reflns.percent_possible_obs | 89.7 |
Multiplicity _reflns.pdbx_redundancy | 6.0 |
CC(1/2) _reflns.pdbx_CC_half | 0.999 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6HLK |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2018-09-11 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 43.1 - 2.420 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2374 / 0.2671 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |