5CDT
I220V horse liver alcohol dehydrogenase complexed with NAD and 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 | 2009-03-27 |
| Detector | NOIR-1 |
| Wavelength(s) | 0.80 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.300, 51.500, 92.350 |
| Unit cell angles | 91.92, 103.09, 110.17 |
Refinement procedure
| Resolution | 20.000 - 1.700 |
| R-factor | 0.16273 |
| Rwork | 0.162 |
| R-free | 0.20569 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dwv |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.039 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.744 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.085 | 0.344 |
| Number of reflections | 77459 | |
| <I/σ(I)> | 7 | 2.3 |
| Completeness [%] | 96.4 | 94.4 |
| Redundancy | 3.23 | 3.15 |
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 |
