3HUR
Crystal structure of alanine racemase from Oenococcus oeni
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-06-12 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97958 |
Spacegroup name | F 2 2 2 |
Unit cell lengths | 118.499, 130.549, 189.441 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.500 |
R-factor | 0.22 |
Rwork | 0.219 |
R-free | 0.25200 |
Structure solution method | SAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.618 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.9) |
Phasing software | SHELXCD |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.762 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.097 | 0.365 |
Number of reflections | 25510 | |
<I/σ(I)> | 14.7 | 5.3 |
Completeness [%] | 99.9 | 100 |
Redundancy | 8.3 | 8.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 3.5 | 294 | 100mM citric acid pH 3.5, 2.0M ammonium sulfate, vapor diffusion, temperature 294K |