2ZCF
Mutational study on Alpha-Gln90 of Fe-type nitrile hydratase from Rhodococcus sp. N771
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL44B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-10-19 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.838, 60.554, 82.187 |
| Unit cell angles | 90.00, 125.05, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.430 |
| R-factor | 0.1694 |
| Rwork | 0.169 |
| R-free | 0.21110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ahj |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.026 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.480 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.060 | 0.280 |
| Number of reflections | 85342 | |
| <I/σ(I)> | 20 | 4.48 |
| Completeness [%] | 99.9 | 77.9 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | PEG8000, MAGNESIUM CHLORIDE, 50mM Tris-HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
