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) |