| 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 | SOLEIL BEAMLINE CRISTAL |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SOLEIL |
Beamline _diffrn_source.pdbx_synchrotron_beamline | CRISTAL |
Temperature [K] _diffrn.ambient_temp | 293 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2015-07-22 |
Detector _diffrn_detector.type | RAYONIX SX-165mm |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.51035 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | SCALA (6.5.015) |
Phasing _software.classification | MOLREP (11.4.03) |
Refinement _software.classification | PHENIX (1.20.1_4487) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 32 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 38.612 38.612 159.814 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.51035 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 33.460 | 2.640 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.500 | 2.500 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.196 | 0.918 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.230 | 1.082 |
Rpim _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all | 0.117 | 0.560 |
Total number of observations _reflns_shell.number_measured_all | - | 2360 |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 4948 | 678 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs | 6.20 | 1.70 |
Completeness [%] _reflns.percent_possible_obs | 95.1 | - |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 3.5 | 3.5 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.980 | 0.429 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 8OSO |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2023-04-19 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 32.7 - 2.500 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2331 / 0.2804 |
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 |