5EA8

Crystal Structure of Prefusion RSV F Glycoprotein Fusion Inhibitor Resistance Mutant D489Y

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.976
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	48.550 - 2.600
R-factor	0.2013
Rwork	0.199
R-free	0.23730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mms
RMSD bond length	0.006
RMSD bond angle	0.932
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]	48.550	48.550	2.730
High resolution limit [Å]	2.600	8.620	2.600
Rmerge	0.223	0.036	2.870
Rpim	0.042	0.007	0.545
Total number of observations	752182	22603	94898
Number of reflections	25647
<I/σ(I)>	18.2	65.4	1.6
Completeness [%]	100.0	99.5	100
Redundancy	29.3	27.2	28.4
CC(1/2)	0.999	1.000	0.556

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