| 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 | LNLS BEAMLINE W01B-MX2 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | LNLS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | W01B-MX2 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2017-05-25 |
Detector _diffrn_detector.type | DECTRIS PILATUS 2M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.459 |
| Software | |
Data scaling _software.classification | XSCALE |
Phasing _software.classification | SHELX |
Refinement _software.classification | PHENIX (1.8.3) |
| 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} | 78.079 78.079 36.945 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.45900 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 39.040 |
High resolution limit [Å] _reflns.d_resolution_high | 1.580 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.045 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 15337 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 38.90 |
Completeness [%] _reflns.percent_possible_obs | 94.9 |
Multiplicity _reflns.pdbx_redundancy | 14.9 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6B7U |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2017-10-05 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 33.4 - 1.581 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1700 / 0.2105 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |