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 |