4G3F
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to a 2-(aminothiazoly)phenol (cmp2)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2009-07-29 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97740 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 74.789, 135.619, 64.857 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.226 - 1.642 |
| R-factor | 0.1804 |
| Rwork | 0.177 |
| R-free | 0.20810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.123 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.700 |
| High resolution limit [Å] | 1.640 | 1.640 |
| <I/σ(I)> | 36.4 | 4.3 |
| Completeness [%] | 96.7 | 89.4 |
| Redundancy | 7.3 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 2 uL plus 2 uL well solution containing 1 mm cmp2, 100 mM bis-TRIS pH 6.5, 100 mM sodium chloride, 20% PEG 400, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
