7UCA
Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 65 K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 65 |
Detector technology | CCD |
Collection date | 2009-06-24 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 |
Unit cell lengths | 44.190, 51.120, 92.460 |
Unit cell angles | 91.89, 103.04, 109.82 |
Refinement procedure
Resolution | 19.540 - 1.100 |
R-factor | 0.1262 |
Rwork | 0.126 |
R-free | 0.14570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ua6 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.910 |
Data scaling software | d*TREK (9.9.9.8L) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.540 | 1.140 |
High resolution limit [Å] | 1.100 | 1.100 |
Rpim | 0.032 | 0.254 |
Number of reflections | 277772 | 97238 |
<I/σ(I)> | 9.5 | |
Completeness [%] | 93.8 | 90.9 |
Redundancy | 3.78 |
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 |