| 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 I04-1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | Diamond |
Beamline _diffrn_source.pdbx_synchrotron_beamline | I04-1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2024-07-23 |
Detector _diffrn_detector.type | DECTRIS EIGER2 XE 9M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.92134 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | Aimless (Phil Evans) |
Phasing _software.classification | PHASER |
Refinement _software.classification | BUSTER (2.10.4 (23-JAN-2024); Gerard Bricogne; buster-develop@GlobalPhasing.com) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 43 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 42.714 42.714 217.127 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.92134 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 41.911 | 41.911 | 2.918 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.666 | 8.593 | 2.666 |
| Rmerge | - | - | - |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.657 | 0.209 | 1.921 |
Rpim _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all | 0.134 | 0.050 | 0.486 |
Total number of observations _reflns.pdbx_number_measured_all _reflns_shell.number_measured_all | 106587 | 3831 | 3412 |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 4703 | 235 | 235 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs | 5.60 | 11.90 | 1.40 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 89.0 | 99.6 | 57.9 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 22.7 | 16.3 | 14.5 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.976 | 0.994 | 0.705 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7I9T |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2025-04-10 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 41.9 - 2.666 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2337 / 0.3024 |
Structure solution method _refine.pdbx_method_to_determine_struct | FOURIER SYNTHESIS |
Starting model _refine.pdbx_starting_model | 5GPI |