1O4I
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH PAS219.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ELLIOTT GX-21 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-04-14 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 26.300, 58.700, 63.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.750 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| Structure solution method | MR |
| Starting model (for MR) | 1shd |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.300 |
| 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 | 1.800 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.046 | 0.166 |
| Number of reflections | 10492 | |
| <I/σ(I)> | 13 | 5 |
| Completeness [%] | 99.8 | 99.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | pH 5.50 |
