| 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 | SSRF BEAMLINE BL19U1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SSRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BL19U1 |
Temperature [K] _diffrn.ambient_temp | 195 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2023-06-06 |
Detector _diffrn_detector.type | DECTRIS PILATUS3 X CdTe 1M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97918 |
| Software | |
Data reduction _software.classification | HKL-3000 |
Data scaling _software.classification | SCALEPACK |
Phasing _software.classification | PHASER (2.6.0) |
Refinement _software.classification | PHENIX (1.10.1_2155: ???) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 21 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 58.397 106.327 94.103 90.00 107.72 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97918 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 19.870 | 19.870 | 1.550 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.500 | 3.220 | 1.500 |
Rmerge _reflns_shell.Rmerge_I_obs | - | 0.037 | 0.625 |
Rmeas _reflns_shell.pdbx_Rrim_I_all | - | 0.040 | 0.685 |
Rpim _reflns_shell.pdbx_Rpim_I_all | - | 0.015 | 0.273 |
| Total number of observations | - | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 166798 | 17487 | 14269 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 14.10 | - | - |
Completeness [%] _reflns.percent_possible_obs | 98.6 | - | - |
Multiplicity _reflns.pdbx_redundancy | 17.0 | - | - |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.999 | 0.999 | 0.811 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 9L7A |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2024-12-26 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 19.9 - 1.500 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2083 / 0.2254 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 7DML |