6EAN

CRYSTAL STRUCTURE OF HUMAN RESPIRATORY SYNCYTIAL VIRUS FUSION GLYCOPROTEIN INHIBITOR ESCAPE VARIANT F488I STABILIZED IN THE PREFUSION STATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	80
Detector technology	CCD
Collection date	2015-12-18
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.979
Spacegroup name	P 41 3 2
Unit cell lengths	168.730, 168.730, 168.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.770 - 2.900
R-factor	0.1852
Rwork	0.183
R-free	0.21620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ea4
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.770	3.080
High resolution limit [Å]	2.900	2.900
Rmerge	0.335	1.835
Rmeas	0.343	1.879
Rpim	0.075	0.404
Total number of observations	393208
Number of reflections	18820	2978
<I/σ(I)>	11.6
Completeness [%]	100.0	100
Redundancy	20.9	21.5
CC(1/2)	0.994	0.588

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	293	1.56M K/Na tartrate, 0.2M LiSO4, 0.1M CHES pH 9.5, 2% DMSO