6H41

Structure of the complex of the IL-5 inhibitory peptide AF17121 bound to the IL-5 receptor IL-5Ralpha

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9796
Spacegroup name	P 64 2 2
Unit cell lengths	138.061, 138.061, 145.855
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.167 - 2.750
R-factor	0.2036
Rwork	0.202
R-free	0.22550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.909
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	119.564	43.167	2.900
High resolution limit [Å]	2.728	8.700	2.750
Rmerge		0.082	2.804
Rmeas	0.145	0.087	2.899
Rpim	0.039	0.028	0.731
Total number of observations	322542	9582	48450
Number of reflections	21928	806	3104
<I/σ(I)>	13.3	29.2	2.3
Completeness [%]	100.0	99.2	100
Redundancy	14.7	11.9	15.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	294	0.1 M sodium acetate pH 5.0, 3% (w/v) PEG 4000, 15% - 20% (v/v) 2-methyl-2,4-pentanediol