1O4H
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU79072.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ELLIOTT GX-21 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-01-18 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 26.201, 58.361, 63.481 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.250 |
| R-factor | 0.156 |
| Rwork | 0.156 |
| Structure solution method | MR |
| Starting model (for MR) | 1shd |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.400 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | X-PLOR (3.851) |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.300 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.067 * | 0.174 |
| Number of reflections | 4785 | |
| <I/σ(I)> | 20 | 6 |
| Completeness [%] | 96.0 | 43.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 5.5 | Lesuisse, D., (2002) J.Med.Chem., 45, 2379. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG400 | 15 (%) | |
| 2 | 1 | reservoir | DMSO | 10 (%) | |
| 3 | 1 | reservoir | MES | 100 (mM) | pH5.5 |
| 4 | 1 | reservoir | dithiothreitol | 10 (mM) | |
| 5 | 1 | drop | protein | 60-80 (mg/ml) | |
| 6 | 1 | drop | dithiothreitol | 10 (mM) | pH5.5 |
