7UEJ
horse liver alcohol dehydrogenase with NAD and 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 | 2009-06-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 |
Unit cell lengths | 44.380, 51.330, 92.630 |
Unit cell angles | 91.86, 103.05, 110.14 |
Refinement procedure
Resolution | 19.620 - 1.200 |
R-factor | 0.1287 |
Rwork | 0.129 |
R-free | 0.15350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7udr |
RMSD bond length | 0.017 |
RMSD bond angle | 2.044 |
Data reduction software | d*TREK |
Data scaling software | d*TREK (9.9.9.8L) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.620 | 19.610 | 1.240 |
High resolution limit [Å] | 1.200 | 2.580 | 1.200 |
Rmerge | 0.057 | 0.035 | 0.568 |
Rmeas | 0.066 | 0.041 | 0.654 |
Total number of observations | 92905 | 88013 | |
Number of reflections | 220796 | 22532 | 21421 |
<I/σ(I)> | 7.9 | 26 | 1 |
Completeness [%] | 95.1 | 97 | 92.5 |
Redundancy | 4.05 | 4.07 | 4.09 |
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 |