1AXG
CRYSTAL STRUCTURE OF THE VAL203->ALA MUTANT OF LIVER ALCOHOL DEHYDROGENASE COMPLEXED WITH COFACTOR NAD AND INHIBITOR TRIFLUOROETHANOL SOLVED TO 2.5 ANGSTROM RESOLUTION
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 103 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-12-11 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.348, 86.734, 90.635 |
| Unit cell angles | 102.66, 99.24, 101.63 |
Refinement procedure
| Resolution | 10.000 - 2.500 |
| R-factor | 0.214 |
| Rwork | 0.214 |
| R-free | 0.29400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ohx |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.630 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.560 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.088 | 0.273 |
| Number of reflections | 40627 | |
| <I/σ(I)> | 10 | 3.5 |
| Completeness [%] | 93.1 | 86.9 |
| Redundancy | 2.43 | 2.38 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8.4 | 4 * | pH 8.4 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 22 (mg/ml) | |
| 2 | 1 | drop | NAD+ | 10 (M) | |
| 3 | 1 | drop | trifluoroethanol | 5 (mM) | |
| 4 | 1 | drop | PEG400 | 5 (%(v/v)) | |
| 5 | 1 | reservoir | Tris-HCl | 50 (mM) | pH8.4 |
| 6 | 1 | reservoir | trifluoroethanol | 5 (mM) | |
| 7 | 1 | reservoir | PEG400 | 12 (%(v/v)) |
