5FB8

Structure of Interleukin-16 bound to the 14.1 antibody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-05-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97626
Spacegroup name	P 21 21 21
Unit cell lengths	59.690, 65.950, 196.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.450 - 2.070
R-factor	0.1735
Rwork	0.172
R-free	0.20530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1I7Z for chain A 4F33 for chain B and 1I16 for chain C
RMSD bond length	0.008
RMSD bond angle	1.150
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.450	2.144
High resolution limit [Å]	2.070	2.070
Rmerge	0.055	0.695
Number of reflections	48100
<I/σ(I)>	17.79	3.44
Completeness [%]	99.8	99.85
Redundancy	6.3	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	16% PEG3350, 0.1 M Bis-Tris-Propane, pH 6.5 and 0.2 M sodium sulphate.