6EAH

CRYSTAL STRUCTURE OF HUMAN RESPIRATORY SYNCYTIAL VIRUS FUSION GLYCOPROTEIN INHIBITOR ESCAPE VARIANT K394R-S398L STABILIZED IN THE PREFUSION STATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	80
Detector technology	CCD
Collection date	2016-06-15
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 41 21 2
Unit cell lengths	166.639, 166.639, 174.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.916 - 3.000
R-factor	0.1943
Rwork	0.193
R-free	0.21860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ea4
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.26)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.200	3.100
High resolution limit [Å]	3.000	3.000
Rmerge	0.152	0.866
Rmeas	0.162	0.934
Rpim	0.054	0.341
Total number of observations	423443
Number of reflections	49640	4475
<I/σ(I)>	8.4
Completeness [%]	99.9	99.3
Redundancy	8.5	7.3
CC(1/2)	0.994	0.625

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