8OMV
Crystal structure of the constitutively active S117E/S181E mutant of human IKK2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-16 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.98 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 226.293, 136.802, 204.358 |
Unit cell angles | 90.00, 91.45, 90.00 |
Refinement procedure
Resolution | 63.250 - 4.160 |
R-factor | 0.2592 |
Rwork | 0.257 |
R-free | 0.29910 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.569 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 63.250 | 63.250 | 4.390 |
High resolution limit [Å] | 4.140 | 12.200 | 4.140 |
Rmerge | 0.275 | 0.065 | 9.990 |
Rmeas | 0.298 | 0.073 | 11.056 |
Number of reflections | 47432 | 1913 | 7278 |
<I/σ(I)> | 3.67 | ||
Completeness [%] | 99.1 | ||
Redundancy | 6.99 | ||
CC(1/2) | 0.995 | 0.996 | 0.040 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 1.6M (NH4)2SO4, 0.1M Bis-Tris HCl pH 6.5, 10% 2-propanol |