| 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 | DIAMOND BEAMLINE I23 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | Diamond |
Beamline _diffrn_source.pdbx_synchrotron_beamline | I23 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2019-02-06 |
Detector _diffrn_detector.type | DECTRIS PILATUS 12M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 2.7551 |
| Software | |
Data reduction #1 _software.classification | MOSFLM |
Data reduction #2 _software.classification | XDS |
Data scaling #1 _software.classification | Aimless |
Data scaling #2 _software.classification | XSCALE |
Phasing #1 _software.classification | PHASER |
Phasing #2 _software.classification | SHELXD |
Model building #1 _software.classification | PHENIX |
Model building #2 _software.classification | BUCCANEER |
Refinement _software.classification | PHENIX (1.14_3260) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 21 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 62.35 97.87 66.01 90.00 103.87 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.979002.75510 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 51.481 | 2.940 | 2.630 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.520 | 2.790 | 2.520 |
| Rmerge | - | - | - |
| Rmeas | - | - | - |
| Rpim | - | - | - |
| Total number of observations | - | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 25110 | 2584 | 2868 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 12.60 | 1.50 | 2.50 |
Completeness [%] _reflns.percent_possible_obs | 97.0 | - | - |
Multiplicity _reflns.pdbx_redundancy | 3.2 | - | - |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.998 | 0.733 | 0.815 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6VKF |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2020-01-20 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 51.5 - 2.524 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2227 / 0.2558 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |