5BVJ
The molecular mode of action and species specificity of canakinumab, a human monoclonal antibody neutralizing IL-1beta
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-08-01 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 80.621, 142.264, 83.802 |
Unit cell angles | 90.00, 115.76, 90.00 |
Refinement procedure
Resolution | 50.810 - 2.000 |
Rwork | 0.186 |
R-free | 0.22800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO (1.97.9) |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (CNX2002) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 2.070 |
High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
Rmerge | 0.057 | 0.045 | 0.148 |
Total number of observations | 552811 | ||
Number of reflections | 114298 | ||
<I/σ(I)> | 11.7 | ||
Completeness [%] | 100.0 | 99.6 | 99.9 |
Redundancy | 4.8 | 4.8 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 292 | 12% PEG MME 5000, 50mM sodium citrate pH 5.0 |