8G2L
Horse liver alcohol dehydrogense His-51 Gln form complexed with NAD+ and 2,2,2-trifluoroethanol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-05-24 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 |
Unit cell lengths | 44.020, 51.080, 92.610 |
Unit cell angles | 92.08, 103.00, 109.44 |
Refinement procedure
Resolution | 19.880 - 1.420 |
R-factor | 0.1868 |
Rwork | 0.186 |
R-free | 0.21122 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.951 |
Data reduction software | d*TREK (9.9.9.8L) |
Data scaling software | d*TREK (9.9.9.8L) |
Phasing software | REFMAC (5.8.0267) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.870 | 19.870 | 1.470 |
High resolution limit [Å] | 1.420 | 3.060 | 1.420 |
Rmerge | 0.058 | 0.039 | 0.373 |
Rmeas | 0.063 | 0.042 | 0.417 |
Total number of observations | 751297 | 96347 | 33975 |
Number of reflections | 121088 | 13808 | 7103 |
<I/σ(I)> | 17.2 | 57.1 | 2.8 |
Completeness [%] | 87.2 | ||
Redundancy | 6.16 | 6.68 | 4.78 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 7 | 278 | 10 mg/ml protein, 50 mM ammonium N-[tris(hydroxymethyl)methyl]-2-aminiomethanesulfonate and 0.25 mM EDTA, 2 mM NAD+, 0.1 mM 2,2,2-trifluoroetanol, 13% MPD, crystals soaked with 25% MPD, and 100 mM trifluoroethanol |