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