| 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 | SLS BEAMLINE X06SA |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SLS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | X06SA |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2016-10-13 |
Detector _diffrn_detector.type | PSI PILATUS 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.99993 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | XSCALE |
Phasing _software.classification | PHASER |
Refinement _software.classification | BUSTER (2.11.7 (19-MAR-2020)) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 1 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 110.222 74.538 172.546 90.00 103.11 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.99993 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 84.030 | 2.168 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.925 | 1.925 |
| Rmerge | - | - |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.063 | 0.771 |
Rpim _reflns.pdbx_Rpim_I_all | 0.045 | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 48069 | 2402 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 14.30 | - |
Completeness [%] _reflns.percent_possible_obs | 88.0 | - |
Multiplicity _reflns.pdbx_redundancy | 3.4 | - |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.999 | 0.670 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6YR9 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2020-04-19 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 84.0 - 1.925 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1917 / 0.2183 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 4GU6 |