| 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 23-ID-B |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 23-ID-B |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2013-11-10 |
Detector _diffrn_detector.type | MARMOSAIC 300 mm CCD |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.033 |
| Software | |
Data reduction _software.classification | DIALS |
Data scaling _software.classification | Aimless |
Phasing _software.classification | PHASER |
Refinement _software.classification | REFMAC (5.8.0411) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 41 21 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 134.804 134.804 174.738 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.03300 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 106.640 |
High resolution limit [Å] _reflns.d_resolution_high | 2.750 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.191 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.197 |
Rpim _reflns.pdbx_Rpim_I_all | 0.049 |
Total number of observations _reflns.pdbx_number_measured_all | 669916 |
Total number unique _reflns.number_obs | 42467 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 12.30 |
Completeness [%] _reflns.percent_possible_obs | 100.0 |
Multiplicity _reflns.pdbx_redundancy | 15.8 |
CC(1/2) _reflns.pdbx_CC_half | 0.993 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 8SSC |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2023-05-08 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 106.6 - 2.750 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2019 / 0.2526 |
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 |