4G3G
Crystal structure of murine NF-kappaB inducing kinase (NIK) V408L bound to a 2-(aminothiazolyl)phenol (cmp3)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2010-01-13 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97946 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 74.423, 135.320, 64.250 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.570 - 2.500 |
| R-factor | 0.20136 |
| Rwork | 0.196 |
| R-free | 0.25150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.195 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.570 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 11486 | |
| <I/σ(I)> | 15.6 | 1.8 |
| Completeness [%] | 99.3 | 93.3 |
| Redundancy | 6.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.2 uL protein plus 0.2 uL of 0.5 mM Cmp3, 100 mM HEPES pH 7.0, 0.01 M zinc chloride, 20% PEG 6000, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
