7Z0V
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 | 106.180, 106.180, 82.880 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.690 - 1.450 |
R-factor | 0.1444 |
Rwork | 0.142 |
R-free | 0.18430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dpp |
RMSD bond length | 0.021 |
RMSD bond angle | 1.539 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.690 | 1.500 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.038 | 0.321 |
Number of reflections | 83831 | 83831 |
<I/σ(I)> | 13.5 | 3 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 3.7 | 3.63 |
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 |