6EAJ

CRYSTAL STRUCTURE OF HUMAN RESPIRATORY SYNCYTIAL VIRUS FUSION GLYCOPROTEIN INHIBITOR ESCAPE VARIANT T400A 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	168.190, 168.190, 168.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.060 - 2.851
R-factor	0.2061
Rwork	0.204
R-free	0.23700
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]	56.060	3.000
High resolution limit [Å]	2.850	2.850
Rmerge	0.141	0.974
Rmeas	0.159	1.094
Rpim	0.072	0.489
Total number of observations	92996
Number of reflections	19529	2775
<I/σ(I)>	8.6
Completeness [%]	99.7	99.3
Redundancy	4.8	4.9
CC(1/2)	0.993	0.539

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	293	1.50M K/Na tartrate, 0.2M LiSO4, 0.1M CHES pH 9.5