1QLH
HORSE LIVER ALCOHOL DEHYDROGENASE COMPLEXED TO NAD DOUBLE MUTANT OF GLY 293 ALA AND PRO 295 THR
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] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1997-05-15 |
Detector | MARRESEARCH |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 55.070, 73.720, 180.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.070 |
R-factor | 0.209 |
Rwork | 0.209 |
R-free | 0.25400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hld |
RMSD bond length | 0.007 |
RMSD bond angle | 20.100 * |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNS (0.4) |
Refinement software | CNS (0.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.180 |
High resolution limit [Å] | 2.070 | 2.070 |
Rmerge | 0.112 * | 0.301 * |
Total number of observations | 44823 * | |
Number of reflections | 18016 | |
<I/σ(I)> | 4.8 | 2.4 |
Completeness [%] | 79.2 | 57.4 |
Redundancy | 2.5 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Microdialysis * | 7 | 5 * | PROTEIN WAS CRYSTALLIZED BY THE BATCH DIALYSIS METHOD USING MPD AS THE PRECIPITANT AT PH 7.0, 50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL)METHYL]-2 AMINOETHANESULFONATE, WITH 0.66 MM NADH AND 0.76 MM |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | enzyme | 10 (mg/ml) | |
2 | 1 | 2 | MPD | 12 (%) | |
3 | 1 | 2 | ammonium N-[tris(hydroxymethyl)methyl]-2-aminoethanesulfonate buffer | 50 (mM) | |
4 | 1 | 2 | NAD+ | 1.3 (mM) | |
5 | 1 | 2 | 2,2,2-trifluoroethanol | 400 (mM) |