| 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 21-ID-D |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 21-ID-D |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2016-06-17 |
Detector _diffrn_detector.type | DECTRIS EIGER X 9M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.27424 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | Aimless |
Phasing _software.classification | PHENIX (phenix.phaser) |
Model building #1 _software.classification | PHENIX (phenix.autobuild) |
Model building #2 _software.classification | Coot |
Refinement _software.classification | PHENIX (dev_2733: ???) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 41 3 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 147.524 147.524 147.524 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.27424 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 104.320 |
High resolution limit [Å] _reflns.d_resolution_high | 2.610 |
Rmerge _reflns.pdbx_Rsym_value | 0.181 |
| Rmeas | - |
Rpim _reflns.pdbx_Rpim_I_all | 0.028 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 17315 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 24.70 |
Completeness [%] _reflns.percent_possible_obs | 100.0 |
Multiplicity _reflns.pdbx_redundancy | 77.3 |
CC(1/2) _reflns.pdbx_CC_half | 1.000 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6BNE |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2017-11-16 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 60.2 - 2.610 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2340 / 0.2705 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 4KAY |