| 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 17-ID |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 17-ID |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2016-12-10 |
Detector _diffrn_detector.type | DECTRIS PILATUS 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97950 |
| Software | |
Data collection _software.classification | JDirector |
Data processing _software.classification | autoPROC (20250717) |
Data reduction _software.classification | XDS (Jan 19, 2025 (BUILT 20250) |
Data scaling _software.classification | Aimless (0.8.2) |
Phasing _software.classification | PHASER (2.0_5824) |
Refinement _software.classification | PHENIX (2.0_5824) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 95.837 111.339 402.967 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97950 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 107.318 |
High resolution limit [Å] _reflns.d_resolution_high | 3.700 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.303 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.311 |
Rpim _reflns.pdbx_Rpim_I_all | 0.066 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 34323 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 8.40 |
Completeness [%] _reflns.percent_possible_obs | 92.6 |
Multiplicity _reflns.pdbx_redundancy | 21.7 |
CC(1/2) _reflns.pdbx_CC_half | 0.998 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 9YL4 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2025-10-08 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 40.6 - 3.700 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2264 / 0.2835 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | WARNING: no starting model (for MR) given |