6G4Y
Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 1a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-08-14 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 43 |
| Unit cell lengths | 143.829, 143.829, 45.614 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 143.800 - 2.650 |
| R-factor | 0.19842 |
| Rwork | 0.196 |
| R-free | 0.24914 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.309 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 143.800 | 2.780 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Number of reflections | 27695 | |
| <I/σ(I)> | 11.9 | |
| Completeness [%] | 100.0 | |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 277 | 0.3-0.9M ammonium sulphate, 0.05-0.1M sodium citrate, 0.7-1.0M lithium sulphate |
