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 |