4XD2
Horse liver alcohol dehydrogenase-NADH complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-10-10 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.158, 50.911, 92.660 |
| Unit cell angles | 92.05, 103.05, 109.60 |
Refinement procedure
| Resolution | 20.000 - 1.100 |
| R-factor | 0.17678 |
| Rwork | 0.177 |
| R-free | 0.19842 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dwv |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.709 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.200 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.049 | 0.535 |
| Number of reflections | 259214 | |
| <I/σ(I)> | 9.1 | 2.3 |
| Completeness [%] | 86.8 | 71 |
| Redundancy | 2.6 | 1.86 |
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+, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL, MICRODIALYSIS, TEMPERATURE 278K |
