| 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 | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SOLEIL |
Beamline _diffrn_source.pdbx_synchrotron_beamline | PROXIMA 2 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2017-02-04 |
Detector _diffrn_detector.type | DECTRIS EIGER X 9M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.9725 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | APEX |
Phasing _software.classification | MOLREP |
Model building _software.classification | Coot |
Refinement _software.classification | PHENIX (1.12_2829) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 57.77 62.75 64.34 66.44 66.55 88.05 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97250 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 49.152 |
High resolution limit [Å] _reflns.d_resolution_high | 2.100 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.117 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.139 |
Rpim _reflns.pdbx_Rpim_I_all | 0.074 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 83934 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 5.90 |
Completeness [%] _reflns.percent_possible_obs | 95.7 |
Multiplicity _reflns.pdbx_redundancy | 3.5 |
CC(1/2) _reflns.pdbx_CC_half | 0.992 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6GHD |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2018-05-07 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 49.2 - 2.100 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1917 / 0.2468 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 2BZF, 1IFR, 2ODC |