6MYN
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to inhibitor R7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-08-14 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9173 |
Spacegroup name | P 43 |
Unit cell lengths | 143.220, 143.220, 46.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.191 - 2.744 |
R-factor | 0.1871 |
Rwork | 0.179 |
R-free | 0.25500 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.128 |
Data reduction software | DENZO |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | PHENIX (1.12-2829_final) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.150 | 44.150 | 2.820 |
High resolution limit [Å] | 2.744 | 12.270 | 2.744 |
Rmerge | 0.024 | 0.690 | |
Rmeas | 0.106 | 0.029 | 0.816 |
Rpim | 0.041 | 0.012 | 0.310 |
Number of reflections | 25142 | 316 | 1828 |
<I/σ(I)> | 16 | 27 | 1.1 |
Completeness [%] | 99.9 | 98.2 | 100 |
Redundancy | 6.6 | 6.1 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 277 | 100 mM sodium citrate tribasic dihydrate (pH 6.2), 0.5 M ammonium sulfate, 0.9 M lithium sulfate |