6EAK

CRYSTAL STRUCTURE OF FUSION INHIBITOR JNJ-2408068 IN COMPLEX WITH HUMAN RESPIRATORY SYNCYTIAL VIRUS FUSION GLYCOPROTEIN ESCAPE VARIANT T400A 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	2016-11-08
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	P 41 3 2
Unit cell lengths	168.450, 168.450, 168.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.556 - 2.600
R-factor	0.1924
Rwork	0.191
R-free	0.22110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ea4
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.28)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.560	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.130	1.267
Rmeas	0.135	1.310
Rpim	0.035	0.330
Total number of observations	376488
Number of reflections	25761	3084
<I/σ(I)>	15.5
Completeness [%]	100.0	100
Redundancy	14.6	15.6
CC(1/2)	0.999	0.795

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	293	1.48M K/Na tartrate, 0.2M LiSO4, 0.1M CHES pH 9.5