3ZMM
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 | 2007-12-21 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 44.506, 126.688, 135.593 |
| Unit cell angles | 90.00, 97.22, 90.00 |
Refinement procedure
| Resolution | 17.570 - 2.510 |
| R-factor | 0.19541 |
| Rwork | 0.193 |
| R-free | 0.24593 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xa4 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.460 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.570 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.060 | 0.300 |
| Number of reflections | 24425 | |
| <I/σ(I)> | 6.48 | 2.35 |
| Completeness [%] | 95.0 | 83.2 |
| Redundancy | 6.6 | 5.85 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | pH 7.4 |
