7QOP
A mutant of the nitrile hydratase from Geobacillus pallidus having enhanced thermostability
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2007-07-18 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 106.499, 106.499, 83.006 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 75.310 - 1.800 |
| R-factor | 0.18 |
| Rwork | 0.178 |
| R-free | 0.21730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hht |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.021 |
| Data reduction software | MOSFLM |
| Data scaling software | d*TREK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.310 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.059 | 0.336 |
| Number of reflections | 615278 | 44724 |
| <I/σ(I)> | 17.5 | 5.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.76 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 30% PEG400, 100mM magnesium chloride, 100mM MES (2[N-Morpholino]ethanesulfonic acid), 10-40mg/ml protein, pH 6.5, vapor diffusion, hanging drop, temperature 295K |
