| 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 | ESRF BEAMLINE ID23-1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ESRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | ID23-1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2017-03-04 |
Detector _diffrn_detector.type | DECTRIS PILATUS3 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97199 |
| Software | |
Data reduction _software.classification | iMOSFLM |
Data scaling _software.classification | Aimless |
Phasing _software.classification | PHASER |
Model building _software.classification | Coot |
Refinement _software.classification | REFMAC (5.8.0158) |
| 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} | 50.46 24.74 47.65 90.00 113.17 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97199 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 43.810 | 1.090 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.070 | 1.070 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.087 | - |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 22954 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 7.50 | - |
Completeness [%] _reflns.percent_possible_obs | 95.6 | - |
Multiplicity _reflns.pdbx_redundancy | 2.9 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5NVG |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2017-05-04 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 43.8 - 1.070 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1290 / 0.1665 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | WARNING: no starting model (for MR) given |