| 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-D |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 23-ID-D |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2016-10-15 |
Detector _diffrn_detector.type | DECTRIS PILATUS3 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.0331 |
| Software | |
Data reduction _software.classification | HKL-2000 (712) |
Data scaling _software.classification | HKL-2000 (712) |
Phasing _software.classification | PHASER (2.5.6) |
Refinement _software.classification | REFMAC (5.8.0135) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 1 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 210.078 130.830 72.368 90.00 98.95 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.03310 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 110.670 |
High resolution limit [Å] _reflns.d_resolution_high | 2.350 |
Rmerge _reflns.pdbx_Rsym_value | 0.100 |
| Rmeas | - |
Rpim _reflns.pdbx_Rpim_I_all | 0.040 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 78249 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 15.40 |
Completeness [%] _reflns.percent_possible_obs | 98.4 |
Multiplicity _reflns.pdbx_redundancy | 6.1 |
CC(1/2) _reflns.pdbx_CC_half | 1.000 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5VTY |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2017-05-18 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 110.7 - 2.360 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1796 / 0.2096 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 4FNK |