| 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 | ALS BEAMLINE 8.3.1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ALS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 8.3.1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2016-03-24 |
Detector _diffrn_detector.type | DECTRIS PILATUS3 S 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1 |
| Software | |
Data reduction _software.classification | MOSFLM (Andrew G.W. Leslie; andrew@mrc-lmb.cam.ac.uk) |
Data scaling _software.classification | SCALA (Phil R. Evans; pre@mrc-lmb.cam.ac.uk) |
Phasing _software.classification | MOLREP (Alexei Vaguine; alexei@ysbl.york.ac.uk) |
Refinement _software.classification | PHENIX (1.12_2829; Paul D. Adams; PDAdams@lbl.gov) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 2 2 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 45.403 45.583 155.231 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.00000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 155.200 |
High resolution limit [Å] _reflns.d_resolution_high | 2.400 |
Rmerge _reflns.pdbx_Rsym_value | 0.066 |
| Rmeas | - |
Rpim _reflns.pdbx_Rpim_I_all | 0.035 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 12803 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 10.30 |
Completeness [%] _reflns.percent_possible_obs | 96.4 |
Multiplicity _reflns.pdbx_redundancy | 7.0 |
CC(1/2) _reflns.pdbx_CC_half | 0.998 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6UEQ |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2019-09-22 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 77.6 - 2.400 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2117 / 0.2487 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 6UEP |