1N8K
Horse Liver Alcohol Dehydrogenase Val292Thr Mutant Complexed to NAD+ and Pyrazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-12-09 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.310, 51.380, 92.670 |
| Unit cell angles | 91.94, 102.97, 109.93 |
Refinement procedure
| Resolution | 20.000 - 1.130 |
| R-factor | 0.14456 |
| Rwork | 0.144 |
| R-free | 0.16700 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hld |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.700 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.27) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.160 |
| High resolution limit [Å] | 1.130 | 1.130 |
| Rmerge | 0.058 * | 0.167 * |
| Total number of observations | 6143593 * | |
| Number of reflections | 218390 | |
| <I/σ(I)> | 32 | 6.4 |
| Completeness [%] | 81.6 * | 46.2 |
| Redundancy | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microdialysis * | 7 | 25 * | MPD, pH 7.0, dialysis, temperature 277K, pH 7.00 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | enzyme | 15 (mg/ml) | |
| 2 | 1 | 2 | MPD | 17 (%) | |
| 3 | 1 | 2 | ammmonium TES | 50 (mM) | |
| 4 | 1 | 2 | EDTA | 0.25 (mM) | pH6.7 |
| 5 | 1 | 2 | NAD+ | 10.6 (mM) | |
| 6 | 1 | 2 | pyrazole | 5.5 (mM) |
