1I7C
HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COMPLEXED WITH METHYLGLYOXAL BIS-(GUANYLHYDRAZONE)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER |
| Temperature [K] | 291 |
| Detector technology | CCD |
| Collection date | 1998-06-03 |
| Detector | BRUKER |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 97.057, 45.499, 72.143 |
| Unit cell angles | 90.00, 105.24, 90.00 |
Refinement procedure
| Resolution | 40.930 - 2.400 |
| R-factor | 0.176 * |
| Rwork | 0.176 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.300 |
| Data reduction software | SMART |
| Data scaling software | SAINT |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 500.000 | 2.486 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.065 | 0.084 |
| Total number of observations | 30563 * | |
| Number of reflections | 9618 | |
| <I/σ(I)> | 8.17 | 2.04 |
| Completeness [%] | 79.4 | 37.8 * |
| Redundancy | 3.9 | 3.96 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 18 * | PEG 8000, Tris-HCl pH 8.0, dithiothreitol, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG8000 | 10-20 (%(w/w)) | |
| 2 | 1 | reservoir | Tris-HCl | 100 (mM) | |
| 3 | 1 | reservoir | dithiothreitol | 10 (mM) | |
| 4 | 1 | drop | protein | 0.0002 (mM) |
