6EAL

CRYSTAL STRUCTURE OF HUMAN RESPIRATORY SYNCYTIAL VIRUS FUSION GLYCOPROTEIN INHIBITOR ESCAPE VARIANT D486N 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	170.600, 170.600, 170.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.316 - 2.751
R-factor	0.2111
Rwork	0.209
R-free	0.24630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ea3
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]	47.320	2.900
High resolution limit [Å]	2.750	2.750
Rmerge	0.243	2.121
Rmeas	0.253	2.215
Rpim	0.067	0.621
Total number of observations	309225	37903
Number of reflections	22649	3195
<I/σ(I)>	10.6	1.6
Completeness [%]	99.9	99.2
Redundancy	13.7	11.9
CC(1/2)	0.995	0.508

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