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 |