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 |