3CKY
Structural and Kinetic Properties of a beta-hydroxyacid dehydrogenase involved in nicotinate fermentation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-09-27 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.978, 175.779, 83.709 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.470 - 2.300 |
R-factor | 0.195 |
Rwork | 0.194 |
R-free | 0.22200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.063 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.849 | 41.850 | 2.420 |
High resolution limit [Å] | 2.300 | 7.270 | 2.300 |
Rmerge | 0.109 | 0.057 | 0.384 |
Total number of observations | 8408 | 22272 | |
Number of reflections | 55151 | ||
<I/σ(I)> | 5.2 | 8.8 | 2 |
Completeness [%] | 94.1 | 97 | 77.2 |
Redundancy | 4.6 | 4.5 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 291 | 19% PEG 8000, 0.1 M Sodium cacodylate, 0.1 M Ammonium sulfate, pH 5.5, VAPOR DIFFUSION, temperature 291K |