| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | SEALED TUBE |
Source details _diffrn_source.type | OXFORD DIFFRACTION SUPERNOVA |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2013-01-23 |
Detector _diffrn_detector.type | AGILENT ATLAS CCD |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.540562 |
| Software | |
Data collection _software.classification | CrysalisPro |
Data reduction _software.classification | CrysalisPro |
Data scaling _software.classification | CrysalisPro |
Phasing _software.classification | MOLREP |
Model building _software.classification | Coot |
Refinement _software.classification | PHENIX (1.18.2-3874) |
| 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} | 45.383 45.383 104.238 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54056 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 14.700 |
High resolution limit [Å] _reflns.d_resolution_high | 2.400 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.108 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.118 |
Rpim _reflns.pdbx_Rpim_I_all | 0.046 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 5212 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 12.30 |
Completeness [%] _reflns.percent_possible_obs | 99.1 |
Multiplicity _reflns.pdbx_redundancy | 6.0 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7NCW |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2021-01-29 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 14.3 - 2.400 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1972 / 0.2294 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 2FLS |