3COS
Crystal structure of human class II alcohol dehydrogenase (ADH4) in complex with NAD and Zn
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-09 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9919 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.299, 160.919, 88.739 |
| Unit cell angles | 90.00, 111.64, 90.00 |
Refinement procedure
| Resolution | 49.390 - 2.100 |
| R-factor | 0.16958 |
| Rwork | 0.169 |
| R-free | 0.20626 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ee2 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.210 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.089 | 0.420 |
| Number of reflections | 97589 | |
| <I/σ(I)> | 7.2 | 2 |
| Completeness [%] | 96.0 | 89 |
| Redundancy | 2.9 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 25% PEG 3350, 0.2 M Ammonium acetate, 0.1 M Bis-tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
