1MC5
Ternary complex of Human glutathione-dependent formaldehyde dehydrogenase with S-(hydroxymethyl)glutathione and NADH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 217 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-08-02 |
| Detector | RIGAKU RAXIS II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 78.656, 78.656, 311.428 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.000 * - 2.600 |
| R-factor | 0.197 |
| Rwork | 0.197 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m6h |
| RMSD bond length | 0.006 |
| RMSD bond angle | 24.000 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.590 |
| Rmerge | 0.035 | 0.141 |
| Total number of observations | 117217 * | |
| Number of reflections | 27884 | |
| <I/σ(I)> | 31.2 | 5.9 |
| Completeness [%] | 88.2 | 70.2 |
| Redundancy | 4.2 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.1 * | 4 * | PEG8000, Potassium phosphate, zinc sulphate, glutathione, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 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 | phosphate | 0.1 (M) | pH7.1 |
| 3 | 1 | reservoir | 100 (mM) | ||
| 4 | 1 | reservoir | dithiothreitol | 1 (mM) | |
| 5 | 1 | reservoir | PEG8000 | 12-16 (%) |
