3EK1
Crystal structure of aldehyde dehydrogenase from brucella melitensis biovar abortus 2308
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-08-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9999 |
Spacegroup name | P 1 |
Unit cell lengths | 91.870, 93.010, 143.700 |
Unit cell angles | 92.03, 107.58, 109.65 |
Refinement procedure
Resolution | 19.780 - 2.100 |
R-factor | 0.164 |
Rwork | 0.161 |
R-free | 0.22500 |
Structure solution method | MR, MR |
Starting model (for MR) | 2opx modified |
RMSD bond length | 0.018 |
RMSD bond angle | 1.627 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0046) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.061 | 0.354 |
Number of reflections | 231828 | |
<I/σ(I)> | 11.02 | 2.3 |
Completeness [%] | 94.0 | 92.5 |
Redundancy | 1.81 | 1.71 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | PROPLEX-96 F9: 1.0M AMMONIUM SULPHATE, 100MM MES PH 6.5, VAPOR DIFFUSION, TEMPERATURE 298K, pH 6.50, VAPOR DIFFUSION, SITTING DROP |