3E64
Fragment based discovery of JAK-2 inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-01-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.91998 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 93.443, 103.121, 68.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.110 - 1.800 |
| R-factor | 0.172 |
| Rwork | 0.169 |
| R-free | 0.22000 |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 24.110 |
| High resolution limit [Å] | 1.800 |
| Number of reflections | 30826 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.7 | 292 | 28-32% PEG 4000, 100 mM SODIUM CITRATE pH 6.5-6.8, 200mM AMMONIUM ACETATE, pH 6.7, VAPOR DIFFUSION, temperature 292K |
