3MEQ
Crystal structure of alcohol dehydrogenase from Brucella melitensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-20 |
| Detector | ADSC Q315R |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 88.365, 103.799, 152.390 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.750 - 2.000 |
| R-factor | 0.173 |
| Rwork | 0.171 |
| R-free | 0.20400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1llu |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.361 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.080 | 0.052 | 0.491 |
| Number of reflections | 94303 | ||
| <I/σ(I)> | 11 | ||
| Completeness [%] | 99.4 | 100 | 97.1 |
| Redundancy | 7.3 | 8.4 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 25% PEG 3350, 0.2 M sodium chloride, 0.1 M Tris, pH 8.5, vapor diffusion, sitting drop, temperature 293K |
