3QA8
Crystal Structure of inhibitor of kappa B kinase beta
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2009-07-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97922 |
| Spacegroup name | P 1 |
| Unit cell lengths | 103.170, 140.339, 161.167 |
| Unit cell angles | 71.28, 79.56, 86.04 |
Refinement procedure
| Resolution | 14.999 - 3.600 |
| R-factor | 0.3097 |
| Rwork | 0.308 |
| R-free | 0.34350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.054 |
| RMSD bond angle | 2.086 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.660 |
| High resolution limit [Å] | 3.600 | 3.600 |
| Rmerge | 0.072 | 0.432 |
| Number of reflections | 75637 | |
| <I/σ(I)> | 9.2 | 1.2 |
| Completeness [%] | 92.5 | 76.6 |
| Redundancy | 1.9 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 100mM N-(2-acetamido) iminodiacetic acid, 10%(w/v) polyethylene glycol (PEG)6000, 50mM Li2SO4, 300mM NaCl, 10mM DTT, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
