5T8Q
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to aryl pyrrole fragment 17
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 | 2011-02-25 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9173 |
| Spacegroup name | P 43 |
| Unit cell lengths | 143.969, 143.969, 46.455 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.790 - 2.630 |
| R-factor | 0.20325 |
| Rwork | 0.198 |
| R-free | 0.25024 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.601 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.790 | 2.760 |
| High resolution limit [Å] | 2.630 | 2.630 |
| Number of reflections | 28412 | |
| <I/σ(I)> | 16.6 | 2 |
| Completeness [%] | 98.5 | 89.4 |
| Redundancy | 5.9 | 4.7 |
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 |
