1U3W
Crystal Structure of Human Alcohol Dehydrogenase Gamma-2-Gamma-2 Isoform Complexed with N-1-Methylheptylformamide Determined to 1.45 Angstrom Resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-06-01 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.361, 67.125, 92.725 |
| Unit cell angles | 90.00, 103.75, 90.00 |
Refinement procedure
| Resolution | 29.360 - 1.450 |
| R-factor | 0.18533 |
| Rwork | 0.184 |
| R-free | 0.21069 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ht0 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.842 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.360 | 1.488 |
| High resolution limit [Å] | 1.200 | 1.450 |
| Rmerge | 0.052 | 0.432 |
| Number of reflections | 110343 | |
| <I/σ(I)> | 17.2 | 3.1 |
| Completeness [%] | 62.8 | 98.96 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 277 | 10mg/ml enzyme, 4mM NAD+, 50mM Tris-HCl, and 17-19% PEG 6000, pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
