| 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 ID29 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ESRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | ID29 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2014-07-11 |
Detector _diffrn_detector.type | DECTRIS PILATUS 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.0000 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | XDS |
Phasing _software.classification | PHASER |
Refinement _software.classification | PHENIX (dev_1436) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | I 1 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 89.383 64.407 147.254 90.00 91.09 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.00000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 75.830 |
High resolution limit [Å] _reflns.d_resolution_high | 1.900 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.113 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.137 |
Rpim _reflns.pdbx_Rpim_I_all | 0.075 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 57099 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 5.20 |
Completeness [%] _reflns.percent_possible_obs | 80.7 |
Multiplicity _reflns.pdbx_redundancy | 2.3 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6ETB |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2017-10-26 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 75.8 - 1.905 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1998 / 0.1998 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 4D02 |