4NI7
Crystal structure of human interleukin 6 in complex with a modified nucleotide aptamer (SOMAMER SL1025)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-18 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.03318 |
Spacegroup name | P 32 |
Unit cell lengths | 50.230, 50.230, 103.630 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.500 - 2.400 |
R-factor | 0.224 |
Rwork | 0.222 |
R-free | 0.26000 |
Structure solution method | SAD WITH MR |
Starting model (for MR) | 1il6 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.922 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 2.460 | |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.040 | 0.614 |
Number of reflections | 11411 | |
<I/σ(I)> | 26.89 | 3.1 |
Completeness [%] | 99.7 | 100 |
Redundancy | 6.4 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | 31% PEG 3350, 180 mM LiNO3, 100 mM Sodium Acetate (pH 5.5), 2.5% Hexamine Cobalt Chloride, VAPOR DIFFUSION, SITTING DROP, temperature 289K |