7QOV
The wild type nitrile hydratase from Geobacillus pallidus
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 | 105.476, 105.476, 83.093 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.590 - 1.400 |
R-free | 0.17990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dpp |
Data reduction software | d*TREK |
Data scaling software | d*TREK (9.7L) |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.590 | 27.590 | 1.350 |
High resolution limit [Å] | 1.300 | 2.800 | 1.300 |
Rmerge | 0.052 | 0.026 | 0.331 |
Number of reflections | 791949 | 9608 | 101631 |
<I/σ(I)> | 14.6 | 44.9 | 4.4 |
Completeness [%] | 88.5 | 80 | 92.8 |
Redundancy | 7.79 | 8.53 | 7.26 |
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 |