7UDE
Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 125 K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 125 |
Detector technology | CCD |
Collection date | 2009-06-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 |
Unit cell lengths | 44.280, 51.180, 92.590 |
Unit cell angles | 91.90, 103.02, 109.89 |
Refinement procedure
Resolution | 19.970 - 1.100 |
R-factor | 0.1337 |
Rwork | 0.133 |
R-free | 0.15990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ua6 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.946 |
Data reduction software | d*TREK |
Data scaling software | d*TREK (9.9.9.8L) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.970 | 19.970 | 1.140 |
High resolution limit [Å] | 1.100 | 2.370 | 1.100 |
Rmerge | 0.051 | 0.028 | 0.531 |
Rmeas | 0.059 | 0.032 | 0.612 |
Total number of observations | 1144666 | 117731 | 111117 |
Number of reflections | 282985 | 28882 | 27443 |
<I/σ(I)> | 8.9 | 32.7 | 1.3 |
Completeness [%] | 94.2 | 96.2 | 91.2 |
Redundancy | 4.01 | 4.01 | 4.02 |
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+, 100 MM 2,2,2-TRIFLUOROETHANOL, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL |