4NFH
V207A Horse Liver Alcohol Dehydrogenase E complexed with NAD and 2,3,4,5,6-pentafluorobenzyl alcohol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-13 |
| Detector | NOIR-1 |
| Wavelength(s) | 0.827 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.490, 51.230, 92.320 |
| Unit cell angles | 91.96, 103.00, 110.28 |
Refinement procedure
| Resolution | 19.840 - 1.200 |
| R-factor | 0.13547 |
| Rwork | 0.135 |
| R-free | 0.16569 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dwv |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.892 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.240 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.055 | 0.363 |
| Number of reflections | 217807 | |
| <I/σ(I)> | 11.3 | 2.4 |
| Completeness [%] | 94.2 | 74 |
| Redundancy | 3.77 | 3.46 |
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, MICRODIALYSIS, temperature 278K |
