1M6W
Binary complex of Human glutathione-dependent formaldehyde dehydrogenase and 12-Hydroxydodecanoic acid
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-05-24 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.2667, 1.2827, 1.2837 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 78.632, 78.632, 309.417 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.191 |
| Rwork | 0.191 |
| R-free | 0.22600 * |
| Structure solution method | MAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.410 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.092 | 0.288 |
| Number of reflections | 43971 | |
| <I/σ(I)> | 37.4 | 7.5 |
| Completeness [%] | 98.9 | 90.6 |
| Redundancy | 23.6 | 10.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.1 | 4 * | PEG 8000, Potassium phosphate, zinc sulphate, Dithiothreitol, pH 7.1, VAPOR DIFFUSION, SITTING DROP at 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | 15-20 (mg/ml) | |
| 2 | 1 | reservoir | potassium phosphate | 0.1 (M) | pH6.9-7.1 |
| 3 | 1 | reservoir | 0.100 (mM) | ||
| 4 | 1 | reservoir | dithiothreitol | 1 (mM) | |
| 5 | 1 | reservoir | PEG8000 | 12-15 (%) |
