5CDU
I220V horse liver alcohol dehydrogenase complexed with NAD and pyrazole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-27 |
Detector | NOIR-1 |
Wavelength(s) | 0.80 |
Spacegroup name | P 1 |
Unit cell lengths | 44.230, 51.260, 92.410 |
Unit cell angles | 91.88, 103.12, 109.95 |
Refinement procedure
Resolution | 20.000 - 1.600 |
R-factor | 0.16122 |
Rwork | 0.161 |
R-free | 0.20093 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dwv |
RMSD bond length | 0.019 |
RMSD bond angle | 2.012 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.123 | 0.414 |
Number of reflections | 89788 | |
<I/σ(I)> | 0.414 | 2.9 |
Completeness [%] | 93.4 | 93.7 |
Redundancy | 6.46 | 6.13 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICRODIALYSIS | 7 | 298 | 50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL) METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 10) MM PYRAZOLE, 16 TO 25 % 2-METHYL-2,4-PENTANEDIOL |