| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | RIGAKU |
Temperature [K] _diffrn.ambient_temp | 293 |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1995-10-16 |
Detector _diffrn_detector.type | SIEMENS |
| Software | |
Data reduction _software.classification | SAINT |
Data scaling _software.classification | SAINT |
Phasing _software.classification | X-PLOR (3.1) |
Model building _software.classification | X-PLOR (3.1) |
Refinement _software.classification | X-PLOR (3.1) |
| 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} | 120.63 159.76 206.38 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 2.300 |
| High resolution limit [Å] | - |
| - | |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.082 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 73166 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 9.31 |
Completeness [%] _reflns.percent_possible_obs | 80.8 |
Multiplicity _reflns.pdbx_redundancy | 4.5 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 2MAS |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1996-10-17 |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2050 / 0.2340 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | UNLIGANDED IU-NH (PDB CODE 1MAS), WATERS AND IONS REMOVED |