4G6M

Crystal structure of human IL-1beta in complex with therapeutic antibody binding fragment of gevokizumab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-03-17
Detector	PSI PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	67.884, 73.651, 111.254
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.500 - 1.810
R-factor	0.203
Rwork	0.202
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pz5 3bkj 1too
RMSD bond length	0.007
RMSD bond angle	1.020
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER (2.11.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	111.300	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.085
Number of reflections	51619
<I/σ(I)>	14.6	14.6
Completeness [%]	99.7	100
Redundancy	5.5	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5	293	20% w/v PEG 4000, 0.2M ammonium formate supplemented with 10% w/v polyvinylpyrrolidone K15, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K