4C61
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 | 2008-09-04 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 43.880, 127.090, 135.210 |
| Unit cell angles | 90.00, 97.33, 90.00 |
Refinement procedure
| Resolution | 26.820 - 2.450 |
| R-factor | 0.1824 |
| Rwork | 0.181 |
| R-free | 0.21680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xa4 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.120 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 134.000 | 2.580 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.070 | 0.300 |
| Number of reflections | 25971 | |
| <I/σ(I)> | 13.4 | 2.5 |
| Completeness [%] | 96.2 | 96.4 |
| Redundancy | 4.2 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | pH 7 |
