| 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 | 2015-12-09 |
Detector _diffrn_detector.type | DECTRIS PILATUS 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.99987 |
| 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 | PHENIX (1.17.1_3660) |
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} | 48.334 71.867 204.589 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.99987 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 102.295 |
High resolution limit [Å] _reflns.d_resolution_high | 2.140 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.391 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.401 |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 18546 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 7.50 |
Completeness [%] _reflns.percent_possible_obs | 46.1 |
Multiplicity _reflns.pdbx_redundancy | 19.1 |
CC(1/2) _reflns.pdbx_CC_half | 0.996 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7AAN |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2020-09-04 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 102.3 - 2.140 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2088 / 0.2405 |
Structure solution method _refine.pdbx_method_to_determine_struct | FOURIER SYNTHESIS |
Starting model _refine.pdbx_starting_model | 7AAL |