| 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 | ESRF BEAMLINE ID14-4 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ESRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | ID14-4 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2012-06-25 |
Detector _diffrn_detector.type | ADSC QUANTUM 315r |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97944 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | XDS |
Phasing _software.classification | PHASER |
Refinement #1 _software.classification | PHENIX (1.20.1_4487) |
Refinement #2 _software.classification | PHENIX (1.20.1_4487) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | I 4 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 190.004 190.004 175.275 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97944 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 19.990 |
High resolution limit [Å] _reflns.d_resolution_high | 2.500 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.134 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.138 |
Rpim _reflns.pdbx_Rpim_I_all | 0.035 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 94874 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 20.47 |
Completeness [%] _reflns.percent_possible_obs | 89.2 |
Multiplicity _reflns.pdbx_redundancy | 14.9 |
CC(1/2) _reflns.pdbx_CC_half | 0.999 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 8AY2 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2022-09-01 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 20.0 - 2.500 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1894 / 0.2149 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |