7UHX
Horse liver alcohol dehydrogenase G173A, complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol at 150 K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 150 |
Detector technology | CCD |
Collection date | 2009-06-24 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 |
Unit cell lengths | 44.390, 51.560, 92.710 |
Unit cell angles | 91.79, 103.04, 110.10 |
Refinement procedure
Resolution | 19.930 - 1.300 |
R-factor | 0.1309 |
Rwork | 0.130 |
R-free | 0.16630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7uhw |
RMSD bond length | 0.017 |
RMSD bond angle | 2.138 |
Data reduction software | d*TREK |
Data scaling software | d*TREK (9.9.9.8L) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.930 | 19.920 | 1.350 |
High resolution limit [Å] | 1.300 | 2.800 | 1.300 |
Rmerge | 0.055 | 0.031 | 0.500 |
Rmeas | 0.063 | 0.036 | 0.578 |
Rpim | 0.034 | ||
Total number of observations | 75150 | 68839 | |
Number of reflections | 176098 | 17993 | 17265 |
<I/σ(I)> | 8.8 | 29.6 | 1.2 |
Completeness [%] | 95.9 | 97.9 | 93.5 |
Redundancy | 4.01 | 4.13 | 3.95 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICRODIALYSIS | 7 | 278 | 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 2,3,4,5.6-pentafluorobenzyl alcohol, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL |