4E3C
X-ray crystal structure of human IKK2 in an active conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 97 |
| Detector technology | CCD |
| Collection date | 2011-01-01 |
| Detector | AGILENT ATLAS CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 170.810, 170.810, 509.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.840 - 3.980 |
| R-factor | 0.267 |
| Rwork | 0.267 |
| R-free | 0.29900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qa8 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.100 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 4.120 |
| High resolution limit [Å] | 3.980 | 3.980 |
| Rmerge | 0.139 | 0.729 |
| Number of reflections | 53076 | |
| <I/σ(I)> | 6.4 | 2.5 |
| Completeness [%] | 81.0 | 97.9 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 1.2M sodium malonate, 250mM ammonium acetate, 10mM DTT, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
