6VKD

Crystal Structure of Inhibitor JNJ-36689282 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	168.610, 168.610, 168.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.063 - 2.500
R-factor	0.1987
Rwork	0.197
R-free	0.22910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ea3
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.063	45.060	2.600
High resolution limit [Å]	2.500	9.010	2.500
Rmerge	0.168	0.041	2.082
Rmeas	0.172	0.043	2.133
Rpim	0.038	0.010	0.458
Total number of observations		12060	68301
Number of reflections	28955	736	3188
<I/σ(I)>	15.7	47.4	1.9
Completeness [%]	100.0	99.3	100
Redundancy	20.3	16.4	21.4
CC(1/2)	0.999	0.999	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	1.64M K/Na tartrate, 0.2M LiSO4, 0.1M CHES pH 9.5