5AX9
Crystal structure of the kinase domain of human TRAF2 and NCK-interacting protein kinase in complex with compund 9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL32XU |
| Synchrotron site | SPring-8 |
| Beamline | BL32XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-13 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 47.178, 123.204, 157.652 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.538 - 2.400 |
| R-factor | 0.2079 |
| Rwork | 0.204 |
| R-free | 0.27140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x7f |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.982 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.540 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.131 | |
| Number of reflections | 36951 | |
| <I/σ(I)> | 12.2 | 2.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.2 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 24% PEG3350, 0.2M ammonium sulfate, 0.1M Bis-tris (5.6) |
