4BBF
Aminoalkylpyrimidine Inhibitor Complexes with JAK2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2006-05-09 |
Detector | RIGAKU IMAGE PLATE |
Spacegroup name | P 1 |
Unit cell lengths | 68.946, 76.008, 88.179 |
Unit cell angles | 75.53, 67.00, 63.04 |
Refinement procedure
Resolution | 80.850 - 2.000 |
R-factor | 0.23206 |
Rwork | 0.229 |
R-free | 0.28929 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | IN-HOUSE STRUCTURE |
RMSD bond length | 0.024 |
RMSD bond angle | 2.098 |
Data reduction software | d*TREK |
Data scaling software | DTSCALEAVERAGE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.110 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.040 | 0.220 |
Number of reflections | 93802 | |
<I/σ(I)> | 10 | 2.8 |
Completeness [%] | 94.9 | 92 |
Redundancy | 1.96 | 1.95 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | pH 7 |