3CGF
IRAK-4 Inhibitors (Part II)- A structure based assessment of imidazo[1,2 a]pyridine binding
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-07-18 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.170, 71.370, 107.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.000 - 3.000 |
Rwork | 0.225 |
R-free | 0.31700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jnk |
RMSD bond length | 0.008 |
RMSD bond angle | 1.230 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNX |
Refinement software | CNX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 3.050 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.110 | 0.389 |
Number of reflections | 8488 | |
<I/σ(I)> | 10.7 | 2.4 |
Completeness [%] | 99.8 | 97.8 |
Redundancy | 7.95 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | pH7.0 |