| 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 | BESSY BEAMLINE 14.2 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | BESSY |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 14.2 |
Temperature [K] _diffrn.ambient_temp | 90 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2014-03-26 |
Detector _diffrn_detector.type | RAYONIX MX-225 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.918 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | Aimless (0.5.7) |
Phasing _software.classification | PHENIX |
Refinement _software.classification | REFMAC (5.8.0135) |
| 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} | 87.910 115.100 125.115 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.91800 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 125.110 |
High resolution limit [Å] _reflns.d_resolution_high | 2.840 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.130 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.147 |
Rpim _reflns.pdbx_Rpim_I_all | 0.067 |
Total number of observations _reflns.pdbx_number_measured_all | 138677 |
Total number unique _reflns.number_obs | 30574 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 12.00 |
Completeness [%] _reflns.percent_possible_obs | 99.8 |
Multiplicity _reflns.pdbx_redundancy | 4.5 |
CC(1/2) _reflns.pdbx_CC_half | 0.995 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 9H5R |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2024-10-23 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 48.0 - 2.840 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2030 / 0.2732 |
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 |