5BVP
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 | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-04-26 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.928, 56.285, 191.704 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.220 - 2.200 |
R-factor | 0.1901 |
Rwork | 0.188 |
R-free | 0.23110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2i1b |
RMSD bond length | 0.010 |
RMSD bond angle | 1.180 |
Data reduction software | HKL-2000 (1.98.5) |
Data scaling software | SCALEPACK (1.98.5) |
Phasing software | PHASER |
Refinement software | BUSTER-TNT (BUSTER 2.11.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 2.280 |
High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
Rmerge | 0.038 | 0.024 | 0.179 |
Total number of observations | 199762 | ||
Number of reflections | 28731 | ||
<I/σ(I)> | 24.7 | 7.3 | |
Completeness [%] | 99.0 | 96.9 | 99.8 |
Redundancy | 7 | 6.7 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 292 | 0.09M MIB BUFFER PH 5.0, 22.5% PEG 1,500, 0.01M TRIS-HCL PH 8.5, 0.4M LICL |