4G3E
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to a 6-alkynylindoline (cmp1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2012-05-12 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97946 |
Spacegroup name | P 43 |
Unit cell lengths | 143.145, 143.145, 45.151 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.730 - 2.500 |
R-factor | 0.19446 |
Rwork | 0.189 |
R-free | 0.24047 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | apo murine NIK kinase domain |
RMSD bond length | 0.007 |
RMSD bond angle | 1.224 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 32116 | |
<I/σ(I)> | 18.6 | 2 |
Completeness [%] | 99.6 | 100 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 277 | 2uL protein with 2uL well solution of 0.5 M ammonium sulfate, 0.9 M lithium sulfate,0.1M sodium citrate tribasic dihydrate then soaked in well solution with 1 mM cmp1, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |