6EAM

CRYSTAL STRUCTURE OF HUMAN RESPIRATORY SYNCYTIAL VIRUS FUSION GLYCOPROTEIN INHIBITOR ESCAPE VARIANT E487D 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)	1.181
Spacegroup name	P 41 3 2
Unit cell lengths	168.480, 168.480, 168.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.728 - 2.739
R-factor	0.2021
Rwork	0.200
R-free	0.23900
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]	46.730	2.870
High resolution limit [Å]	2.739	2.739
Rmerge	0.120	1.024
Rmeas	0.129	1.109
Rpim	0.046	0.419
Number of reflections	22146	2889
<I/σ(I)>	11.9
Completeness [%]	100.0	99.8
Redundancy	7.6	6.7
CC(1/2)	0.997	0.644

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	293	1.44M K/Na tartrate, 0.2M LiSO4, 0.1M CHES pH 9.5