| 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 I03 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | Diamond |
Beamline _diffrn_source.pdbx_synchrotron_beamline | I03 |
Temperature [K] _diffrn.ambient_temp | 105 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2015-09-21 |
Detector _diffrn_detector.type | DECTRIS PILATUS 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.9999 |
| Software | |
Data reduction _software.classification | XDS (Jan 31, 2020) |
Data scaling #1 _software.classification | Aimless (0.7.4) |
Data scaling #2 _software.classification | STARANISO (2.3.28) |
Phasing _software.classification | PHASER |
Refinement _software.classification | PHENIX (1.17.1_3660) |
| 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} | 48.191 73.023 205.248 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.99990 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 102.620 |
High resolution limit [Å] _reflns.d_resolution_high | 1.970 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.130 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.130 |
Rpim _reflns.pdbx_Rpim_I_all | 0.039 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 30894 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 13.10 |
Completeness [%] _reflns.percent_possible_obs | 59.4 |
Multiplicity _reflns.pdbx_redundancy | 12.3 |
CC(1/2) _reflns.pdbx_CC_half | 0.998 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7AAL |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2020-09-04 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 102.6 - 1.970 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1861 / 0.2189 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 4WPE |