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