6EG9
IRAK4 in complex with Ponatinib
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-06-18 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 85.037, 85.037, 434.301 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 72.608 - 2.414 |
R-factor | 0.2242 |
Rwork | 0.223 |
R-free | 0.24920 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 0.994 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 144.770 | 2.470 |
High resolution limit [Å] | 2.400 | 2.414 |
Number of reflections | 36908 | |
<I/σ(I)> | 35.9 | |
Completeness [%] | 99.8 | |
Redundancy | 18.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | 289 | 0.1M Tris-Hcl pH 8.0 1.5M-1.6M ammonium sulfate 20mM Cobalt chloride |