| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | RIGAKU RUH3R |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 2011-06-16 |
Detector _diffrn_detector.type | RIGAKU RAXIS IV++ |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.5418 |
| Software | |
Data collection _software.classification | StructureStudio |
Data reduction _software.classification | XDS |
Data scaling _software.classification | SCALA |
Phasing _software.classification | PHASER |
Refinement _software.classification | PHENIX (phenix.refine: dev_1051) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 21 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 32.003 82.491 32.705 90.00 91.49 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 17.450 |
High resolution limit [Å] _reflns.d_resolution_high | 1.960 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.027 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 11413 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 19.50 |
Completeness [%] _reflns.percent_possible_obs | 94.1 |
Multiplicity _reflns.pdbx_redundancy | 2.3 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 4ID3 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2012-12-11 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 17.4 - 1.967 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1908 / 0.2332 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | PDB ENTRY 2EBW |