| 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 | APS BEAMLINE 21-ID-D |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 21-ID-D |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2018-11-09 |
Detector _diffrn_detector.type | DECTRIS EIGER X 9M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97619 |
| Software | |
Data processing #1 _software.classification | autoPROC (1.0.5 (20230726)) |
Data processing #2 _software.classification | TRUNCATE (8.0.015) |
Data reduction _software.classification | XDS (Jun 30, 2023) |
Data scaling _software.classification | Aimless (0.7.13) |
Phasing _software.classification | HKL2Map |
Refinement _software.classification | PHENIX (1.20.1_4487) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 4 21 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 32.821 32.821 57.970 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97619 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 21.726 | 21.726 | 1.071 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.052 | 2.855 | 1.052 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.077 | 0.064 | 0.803 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.080 | 0.067 | 0.884 |
Rpim _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all | 0.022 | 0.018 | 0.354 |
Total number of observations _reflns.pdbx_number_measured_all _reflns_shell.number_measured_all | 191357 | 12276 | 2605 |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 14743 | 890 | 459 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 18.35 | 46.84 | 1.77 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 95.9 | 100.0 | 62.9 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 13.0 | 13.8 | 5.7 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.995 | 0.993 | 0.690 |
Anomalous completeness _reflns.pdbx_percent_possible_anomalous _reflns_shell.pdbx_percent_possible_anomalous | 95.5 | 100.0 | 60.4 |
Anomalous multiplicity _reflns.pdbx_redundancy_anomalous _reflns_shell.pdbx_redundancy_anomalous | 7.1 | 8.6 | 3.1 |
CC(ano) _reflns.pdbx_CC_half_anomalous _reflns_shell.pdbx_CC_half_anomalous | -0.294 | -0.448 | -0.003 |
|DANO|/σ(DANO) _reflns.pdbx_absDiff_over_sigma_anomalous _reflns_shell.pdbx_absDiff_over_sigma_anomalous | 0.820 | 0.963 | 0.685 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 8VJT |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2024-01-08 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 21.7 - 1.052 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1483 / 0.1606 |
Structure solution method _refine.pdbx_method_to_determine_struct | SIRAS |