3E62
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 | 93.302, 102.297, 68.386 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.580 - 1.922 |
R-factor | 0.169 |
Rwork | 0.166 |
R-free | 0.21800 |
Refinement software | REFMAC |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 27.580 |
High resolution limit [Å] | 1.922 |
Number of reflections | 25130 |
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 |