| 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 | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | EMBL/DESY, HAMBURG |
Beamline _diffrn_source.pdbx_synchrotron_beamline | X11 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2018-12-07 |
Detector _diffrn_detector.type | DECTRIS PILATUS 6M-F |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.738900 |
| Software | |
Data collection _software.classification | autoPROC |
Data reduction _software.classification | XDS |
Data scaling _software.classification | STARANISO |
Phasing _software.classification | PHENIX |
Refinement _software.classification | PHENIX (1.18rc1-3769) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 163.762 91.093 112.706 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.73890 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 112.710 |
High resolution limit [Å] _reflns.d_resolution_high | 2.380 |
| Rmerge | - |
| Rmeas | - |
Rpim _reflns.pdbx_Rpim_I_all | 0.110 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 50095 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 6.60 |
Completeness [%] _reflns.percent_possible_obs | 92.6 |
Multiplicity _reflns.pdbx_redundancy | 12.5 |
CC(1/2) _reflns.pdbx_CC_half | 0.990 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6TSI |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2019-12-20 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 79.6 - 2.380 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2379 / 0.2795 |
Structure solution method _refine.pdbx_method_to_determine_struct | FOURIER SYNTHESIS |
Starting model _refine.pdbx_starting_model | 1nir |