6KN9

Crystal structure of human interleukin 18 receptor beta extracellular domain in complex with an antagonistic scFv

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-07-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97775
Spacegroup name	P 31
Unit cell lengths	163.160, 163.160, 64.145
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.190 - 3.302
R-factor	0.2484
Rwork	0.247
R-free	0.27690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wo4 3pnw
RMSD bond length	0.011
RMSD bond angle	1.376
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.420
High resolution limit [Å]	3.300	7.100	3.300
Rmerge	0.113	0.061	0.652
Rmeas	0.134	0.075	0.796
Rpim	0.071	0.042	0.450
Total number of observations	96462
Number of reflections	28309	2807	2743
<I/σ(I)>	7.7
Completeness [%]	98.6	97.5	95.3
Redundancy	3.4	3.3	3
CC(1/2)		0.988	0.558

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		288	0.2M Ammonium iodide, 20% polyethylene glycol 3350