6EAG

CRYSTAL STRUCTURE OF FUSION INHIBITOR JNJ-2408068 IN COMPLEX WITH HUMAN RESPIRATORY SYNCYTIAL VIRUS FUSION GLYCOPROTEIN ESCAPE VARIANT G143S STABILIZED IN THE PREFUSION STATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	80
Detector technology	CCD
Collection date	2015-11-05
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	P 41 3 2
Unit cell lengths	170.340, 170.340, 170.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.079 - 3.302
R-factor	0.2164
Rwork	0.215
R-free	0.24880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ea3
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.15)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.150	3.560
High resolution limit [Å]	3.300	3.300
Rmerge	0.221	1.894
Rmeas	0.233	1.991
Rpim	0.073	0.610
Number of reflections	13277	2662
<I/σ(I)>	7.6
Completeness [%]	99.9	100
Redundancy	10.1	10.5
CC(1/2)	0.997	0.549

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	293	1.54M K/Na tartrate, 0.2M LiSO4, 0.1M CHES pH 9.5