| 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 | 2016-02-01 |
Detector _diffrn_detector.type | MAR CCD 165 mm |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97931 |
| Software | |
Data reduction _software.classification | iMOSFLM (7.2.1) |
Data scaling _software.classification | SCALA (3.3.21) |
Phasing _software.classification | PHENIX (1.11.1_2575) |
Refinement #1 _software.classification | PHENIX (1.11.1_2575) |
Refinement #2 _software.classification | PHENIX (1.11.1_2575) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 41 21 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 93.564 93.564 262.158 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 | 18.500 |
High resolution limit [Å] _reflns.d_resolution_high | 2.650 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.170 |
| Rmeas | - |
Rpim _reflns.pdbx_Rpim_I_all | 0.047 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 34665 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 9.71 |
Completeness [%] _reflns.percent_possible_obs | 95.8 |
Multiplicity _reflns.pdbx_redundancy | 14.4 |
CC(1/2) _reflns.pdbx_CC_half | 0.996 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5UV6 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2017-02-19 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 18.4 - 2.650 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2841 / 0.3003 |
Structure solution method _refine.pdbx_method_to_determine_struct | SIRAS |