5UDC

Crystal Structure of RSV F A2 Bound to MEDI8897

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	CCD
Collection date	2014-07-19
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	103.780, 126.310, 162.310
Unit cell angles	90.00, 102.56, 90.00

Refinement procedure

Resolution	43.139 - 3.450
R-factor	0.1775
Rwork	0.175
R-free	0.23240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jhw
RMSD bond length	0.007
RMSD bond angle	0.961
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]	43.140	43.140	3.560
High resolution limit [Å]	3.450	14.220	3.450
Rmerge	0.085	0.034	0.565
Rmeas	0.102
Rpim	0.056
Total number of observations	165678
Number of reflections	53451
<I/σ(I)>	8
Completeness [%]	99.0	89.2	99.7
Redundancy	3.1	2.9	3.1
CC(1/2)	0.996	0.997	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	10% w/v PEG8000, 20% v/v ethylene glycol, 0.1 M Tris/BICINE pH 8.5, 0.02 M carboxylic acids, 0.3 M NDSB-195