1HF3
ATOMIC X-RAY STRUCTURE OF LIVER ALCOHOL DEHYDROGENASE CONTAINING Cadmium and a hydroxide adduct to NADH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7B |
Temperature [K] | 277 |
Detector technology | IMAGE PLATE |
Detector | MARRESEARCH X-RAY RESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.900, 179.000, 50.500 |
Unit cell angles | 90.00, 107.50, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.950 |
R-factor | 0.167 |
Rwork | 0.164 |
R-free | 0.21400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ohx |
RMSD bond length | 0.014 |
RMSD bond angle | 0.040 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.037 * | 0.150 |
Total number of observations | 94521 * | |
Number of reflections | 45721 * | |
<I/σ(I)> | 19 | 4.1 |
Completeness [%] | 86.6 | 69.8 |
Redundancy | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Microdialysis * | 8.2 | pH 8.20 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | Tris-HCl | 50 (mM) | |
2 | 1 | 1 | MPD | 12 (%) | stepwise addition |