6VKC

Crystal Structure of Inhibitor JNJ-36811054 in Complex with Prefusion RSV F Glycoprotein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 41 3 2
Unit cell lengths	168.040, 168.040, 168.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.606 - 2.600
R-factor	0.1934
Rwork	0.192
R-free	0.22930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ea4
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER
Refinement software	PHENIX (1.13)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.610	46.610	2.720
High resolution limit [Å]	2.600	9.010	2.600
Rmerge	0.178	0.036	1.792
Rmeas	0.182	0.037	1.836
Rpim	0.040	0.009	0.399
Total number of observations	514782	12045	63976
Number of reflections	25576	733	3050
<I/σ(I)>	14.9	44.8	2.1
Completeness [%]	100.0	99.4	100
Redundancy	20.1	16.4	21
CC(1/2)	0.999	0.999	0.588

Crystallization Conditions

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