6EAI

CRYSTAL STRUCTURE OF HUMAN RESPIRATORY SYNCYTIAL VIRUS FUSION GLYCOPROTEIN INHIBITOR ESCAPE VARIANT S398L 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	2016-07-20
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	P 41 21 2
Unit cell lengths	167.319, 167.319, 174.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.608 - 2.800
R-factor	0.2113
Rwork	0.210
R-free	0.23880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ea4
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.610	2.870
High resolution limit [Å]	2.800	2.800
Rmerge	0.103	1.246
Rmeas	0.111	1.344
Rpim	0.039	0.485
Total number of observations	415693
Number of reflections	60906	4451
<I/σ(I)>	12.5
Completeness [%]	99.3	99.6
Redundancy	6.8	6.2
CC(1/2)	0.997	0.525

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	293	1.52M K/Na tartrate, 0.2M LiSO4, 0.1M CHES pH 9.5