5W23

Crystal Structure of RSV F in complex with 5C4 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	80
Detector technology	CCD
Collection date	2014-06-06
Detector	ADSC QUANTUM 210
Wavelength(s)	0.979
Spacegroup name	P 41 21 2
Unit cell lengths	183.360, 183.360, 275.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.060 - 3.400
R-factor	0.1999
Rwork	0.198
R-free	0.23890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c69 4mms
RMSD bond length	0.007
RMSD bond angle	1.053
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.060	34.060	3.480
High resolution limit [Å]	3.400	15.580	3.400
Rmerge	0.380	0.073	1.596
Rmeas	0.406	0.081	1.707
Rpim	0.140	0.033	0.585
Total number of observations	470679
Number of reflections	64552
<I/σ(I)>	7.4
Completeness [%]	99.1	87.4	99.2
Redundancy	7.3	5.8	7.2
CC(1/2)	0.968	0.992	0.462

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	Seed stock: 0.01 M zinc sulfate heptahydrate, 0.1 M MES hydrate pH 6.5, 22.5% v/v PEG MME 550 and 0.5% w/v polyvinylpyrrolidone K15 Reservoir solution: 0.2 M ammonium acetate, 0.1 M BIS-TRIS pH 6.5 and 25% PEG 3350