2AHJ
NITRILE HYDRATASE COMPLEXED WITH NITRIC OXIDE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-18B |
| Synchrotron site | Photon Factory |
| Beamline | BL-18B |
| Temperature [K] | 293 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1995-11 |
| Detector | WEISSENBERG |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 117.400, 145.600, 52.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.700 |
| R-factor | 0.179 |
| Rwork | 0.179 |
| R-free | 0.22800 |
| Structure solution method | MULTIPLE ISOMORPHOUS REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.990 * |
| Data reduction software | WEIS |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MLPHARE |
| Refinement software | X-PLOR (3.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.000 | 1.900 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.060 | 0.320 |
| Total number of observations | 371002 * | |
| Number of reflections | 88965 | |
| <I/σ(I)> | 6.3 | 2.2 |
| Completeness [%] | 90.0 | 76.4 |
| Redundancy | 4.08 | 3.59 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7 | 4 * | pH 7.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 1.6 (M) | |
| 2 | 1 | reservoir | Hepes-NaOH | 50 (mM) | |
| 3 | 1 | reservoir | 25 (mM) | ||
| 4 | 1 | reservoir | 1,4-dioxane | 3 (%(v/v)) |
