5EA4

Crystal Structure of Inhibitor JNJ-49153390 in Complex with Prefusion RSV F Glycoprotein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.977
Spacegroup name	P 41 3 2
Unit cell lengths	168.370, 168.370, 168.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.600 - 2.300
R-factor	0.1805
Rwork	0.179
R-free	0.21360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mms
RMSD bond length	0.005
RMSD bond angle	0.892
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]	48.600	48.600	2.380
High resolution limit [Å]	2.300	8.910	2.300
Rmerge	0.170	0.029	1.759
Rpim	0.039	0.007	0.449
Total number of observations	731556	15433	57365
Number of reflections	36823
<I/σ(I)>	17.4	65.8	1.8
Completeness [%]	100.0	99.5	100
Redundancy	19.9	20.3	16.1
CC(1/2)	0.999	1.000	0.657

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