5EA3

Crystal Structure of Inhibitor JNJ-2408068 in Complex with Prefusion RSV F Glycoprotein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	P 41 3 2
Unit cell lengths	170.110, 170.110, 170.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.107 - 2.750
R-factor	0.2003
Rwork	0.199
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mms
RMSD bond length	0.006
RMSD bond angle	0.888
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.110	49.110	2.900
High resolution limit [Å]	2.750	8.700	2.750
Rmerge	0.257	0.061	3.734
Rpim	0.046	0.011	0.849
Total number of observations	740624	27778	65008
Number of reflections	22511
<I/σ(I)>	17.6	45.7	1.9
Completeness [%]	100.0	99.5	100
Redundancy	32.9	33.1	20.2
CC(1/2)	0.998	0.999	0.659

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	293	1.54 M potassium/sodium tartrate, 0.2 M lithium sulfate, 0.1 M CHES, pH 9.5