5KJ1
G173A horse liver alcohol dehydrogenase complexed with NAD+ and pentafluorobenzyl alcohol
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 | 2009-06-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.310, 51.500, 92.420 |
| Unit cell angles | 91.82, 103.05, 110.12 |
Refinement procedure
| Resolution | 20.000 - 1.200 |
| R-factor | 0.12402 |
| Rwork | 0.124 |
| R-free | 0.16995 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dwv |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.966 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.240 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.066 | 0.486 |
| Number of reflections | 220050 | |
| <I/σ(I)> | 9.2 | 2.1 |
| Completeness [%] | 94.6 | 91.9 |
| Redundancy | 3.95 | 3.87 |
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 |
