7UEF
Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 85 K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 85 |
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, 51.270, 92.500 |
Unit cell angles | 91.81, 103.05, 110.05 |
Refinement procedure
Resolution | 19.980 - 1.200 |
R-factor | 0.1236 |
Rwork | 0.123 |
R-free | 0.14750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7udr |
RMSD bond length | 0.015 |
RMSD bond angle | 2.010 |
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] | 19.980 | 19.970 | 1.240 |
High resolution limit [Å] | 1.200 | 2.580 | 1.200 |
Rmerge | 0.040 | 0.024 | 0.301 |
Rmeas | 0.055 | 0.033 | 0.417 |
Total number of observations | 46311 | 44064 | |
Number of reflections | 218760 | 22093 | 21331 |
<I/σ(I)> | 8.9 | 28.9 | 2 |
Completeness [%] | 94.6 | 95.6 | 92.4 |
Redundancy | 2.04 | 2.06 | 2.05 |
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 |