| 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 | CHESS BEAMLINE F1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | CHESS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | F1 |
Temperature [K] _diffrn.ambient_temp | 289.15 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2016-11-04 |
Detector _diffrn_detector.type | DECTRIS PILATUS3 S 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.976 |
| Software | |
Data reduction _software.classification | DENZO |
Data scaling _software.classification | SCALEPACK |
Phasing _software.classification | PHASER |
Model building _software.classification | Coot |
Refinement _software.classification | REFMAC |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 31 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 64.580 64.580 116.547 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97600 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 116.550 |
High resolution limit [Å] _reflns.d_resolution_high | 1.430 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.045 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.048 |
Rpim _reflns.pdbx_Rpim_I_all | 0.016 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 51936 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 41.78 |
Completeness [%] _reflns.percent_possible_obs | 98.5 |
Multiplicity _reflns.pdbx_redundancy | 9.6 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6BCD |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2017-10-20 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 116.5 - 1.430 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1749 / 0.1974 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 3ABD (excluding Rev3 peptide) |