5CDS
I220L 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 | 2009-01-28 |
| Detector | NOIR-1 |
| Wavelength(s) | 0.80 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.270, 51.530, 92.440 |
| Unit cell angles | 91.75, 103.12, 109.34 |
Refinement procedure
| Resolution | 20.000 - 1.400 |
| R-factor | 0.13246 |
| Rwork | 0.132 |
| R-free | 0.18411 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dwv |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.702 |
| 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 | 1.436 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.051 | 0.373 |
| Number of reflections | 132451 | |
| <I/σ(I)> | 11.3 | 2.3 |
| Completeness [%] | 91.0 | 86.77 |
| Redundancy | 3.64 | 3.61 |
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-,4-PENTANEDIOL |
