5T1S
Irak4 kinase - compound 1 co-structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-10-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 144.340, 139.300, 88.090 |
| Unit cell angles | 90.00, 125.05, 90.00 |
Refinement procedure
| Resolution | 37.200 - 2.300 |
| R-factor | 0.2075 |
| Rwork | 0.207 |
| R-free | 0.22260 |
| Starting model (for MR) | 2nru |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| Data reduction software | XDS ((VERSION December 29) |
| Data scaling software | autoPROC |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.200 | 2.307 |
| High resolution limit [Å] | 2.299 | 2.299 |
| Rmerge | 0.071 | |
| Number of reflections | 61822 | |
| <I/σ(I)> | 9.7 | |
| Completeness [%] | 97.7 | 99.8 |
| Redundancy | 3.3 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 289 | .80 to 2.0 M Sodium Malonate 0.2 M Sodium Acetate 25 mM Hexamminecobalt(III)chloride 0.05%w/v Pluronic-F-68 |
