4C62
Inhibitors of Jak2 Kinase domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-06-18 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 44.507, 126.889, 135.875 |
| Unit cell angles | 90.00, 97.53, 90.00 |
Refinement procedure
| Resolution | 21.000 - 2.750 |
| R-factor | 0.19906 |
| Rwork | 0.196 |
| R-free | 0.24568 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xa4 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.699 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.200 | 2.900 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.100 | 0.500 |
| Number of reflections | 19353 | |
| <I/σ(I)> | 11.6 | 2.1 |
| Completeness [%] | 99.4 | 98.7 |
| Redundancy | 4 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | pH 7 |
