7QOU
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 | 106.084, 106.084, 82.975 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 74.950 - 1.300 |
| R-factor | 0.1542 |
| Rwork | 0.153 |
| R-free | 0.18240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dpp |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.950 | 1.480 |
| High resolution limit [Å] | 1.300 | 1.430 |
| Rmerge | 0.046 | 0.298 |
| Number of reflections | 294741 | 86186 |
| <I/σ(I)> | 11 | 3 |
| Completeness [%] | 98.5 | 99.8 |
| Redundancy | 3.42 | 3.33 |
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 |
