3HU5
CRYSTAL STRUCTURE OF isochorismatase family protein from Desulfovibrio vulgaris subsp. vulgaris str. Hildenborough
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-06-11 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 63.663, 116.790, 105.661 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.160 - 1.500 |
R-factor | 0.189 |
Rwork | 0.187 |
R-free | 0.22500 |
Structure solution method | SAD |
RMSD bond length | 0.028 |
RMSD bond angle | 2.337 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELX |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.530 |
High resolution limit [Å] | 1.500 | 4.070 | 1.500 |
Rmerge | 0.084 | 0.059 | 0.569 |
Number of reflections | 119171 | ||
<I/σ(I)> | 23.318 | ||
Completeness [%] | 97.3 | 98.1 | 80.2 |
Redundancy | 3 | 3.1 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.2 M magnesium chloride, 0.1 M Tris-HCl, 25% PEG 3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |