| 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 31-ID |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 31-ID |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2016-08-11 |
Detector _diffrn_detector.type | MAR CCD 165 mm |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97931 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | SCALA (3.3.22) |
Phasing _software.classification | PHASER (2.6.1) |
Refinement _software.classification | BUSTER (2.11.7) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 73.594 94.665 101.133 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97931 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 101.133 |
High resolution limit [Å] _reflns.d_resolution_high | 2.740 |
Rmerge _reflns.pdbx_Rsym_value | 0.050 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.057 |
Rpim _reflns.pdbx_Rpim_I_all | 0.021 |
Total number of observations _reflns.pdbx_number_measured_all | 135345 |
Total number unique _reflns.number_obs | 18723 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 23.90 |
Completeness [%] _reflns.percent_possible_obs | 97.6 |
Multiplicity _reflns.pdbx_redundancy | 7.2 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6UIB |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2019-09-30 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 19.9 - 2.740 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2060 / 0.2410 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 3DUH |