| 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 | ELETTRA BEAMLINE 5.2R |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ELETTRA |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 5.2R |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2000-01-01 |
Detector _diffrn_detector.type | DECTRIS PILATUS3 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.534 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | SCALA |
Phasing _software.classification | PHASER |
Refinement _software.classification | PHENIX (1.21_5207; Paul D. Adams; pdadams@lbl.gov) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 2 2 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 37.070 56.654 19.331 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.53400 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 100.000 | 1.290 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.280 | 1.280 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.123 | 0.715 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 32461 | 276 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 33.60 | - |
Completeness [%] _reflns.percent_possible_obs | 98.8 | - |
Multiplicity _reflns.pdbx_redundancy | 1.9 | - |
CC(1/2) _reflns.pdbx_CC_half | 0.994 | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 9G39 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2024-07-11 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 31.0 - 1.280 Å |
R _refine.ls_R_factor_obs | 0.1526 |
Rwork _refine.ls_R_factor_R_work | 0.1526 WARNING: no Rfree given? |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |