| 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 RU200 |
Temperature [K] _diffrn.ambient_temp | 100.0 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 2005-07-22 |
Detector _diffrn_detector.type | RIGAKU RAXIS IV |
| Software | |
Data reduction _software.classification | HKL-2000 |
Data scaling _software.classification | SCALEPACK |
Phasing #1 _software.classification | SOLVE |
Phasing #2 _software.classification | RESOLVE |
Model building #1 _software.classification | ARP/wARP |
Model building #2 _software.classification | O |
Refinement _software.classification | CNS (1.0) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | I 2 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 74.358 90.025 104.990 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 2.29000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 16.740 |
High resolution limit [Å] _reflns.d_resolution_high | 2.120 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.035 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 31848 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 52.15 |
Completeness [%] _reflns.percent_possible_obs | 82.4 |
Multiplicity _reflns.pdbx_redundancy | 11.9 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 2AZP |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2005-09-12 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 16.7 - 2.130 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1750 / 0.2090 |
Structure solution method _refine.pdbx_method_to_determine_struct | SULFUR SAD |