6UIB

Crystal structure of IL23 bound to peptide 23-652

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-08-11
Detector	MAR CCD 165 mm
Wavelength(s)	0.97931
Spacegroup name	P 21 21 21
Unit cell lengths	73.594, 94.665, 101.133
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.900 - 2.740
R-factor	0.208
Rwork	0.206
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3duh
RMSD bond length	0.009
RMSD bond angle	1.150
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.6.1)
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	101.133	2.905
High resolution limit [Å]	2.740	2.740
Rmerge		0.428
Rmeas	0.057	0.495
Rpim	0.021	0.181
Total number of observations	135345
Number of reflections	18723	3053
<I/σ(I)>	23.9	1.8
Completeness [%]	97.6	100
Redundancy	7.2	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		281	100 mM Hepes pH 7, 17% w/v PEG 3350 and 150 mM Potassium Nitrate