1AHJ
NITRILE HYDRATASE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-09-09 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 88.854, 144.239, 159.876 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.500 - 2.650 |
| R-factor | 0.264 |
| Rwork | 0.264 |
| R-free | 0.28900 |
| Structure solution method | MIRAS AVERAGING |
| RMSD bond length | 0.006 |
| RMSD bond angle | 22.600 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SQUASH |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.710 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.068 * | 0.260 * |
| Total number of observations | 347098 * | |
| Number of reflections | 56428 | |
| <I/σ(I)> | 20.3 | 3.2 |
| Completeness [%] | 93.8 | 75.7 |
| Redundancy | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 * | 4 * | pH 8.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | 10 (mg/ml) | |
| 2 | 1 | drop | HEPES | 20 (mM) | |
| 3 | 1 | drop | butyrate | 40 (mM) | |
| 4 | 1 | reservoir | PEG8000 | 27 (%) | |
| 5 | 1 | reservoir | 0.3 (M) | ||
| 6 | 1 | reservoir | Tris | 0.1 (M) |
