5FHA

Crystal Structure of Protective Ebola Virus Antibody 114

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	2014-11-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	171.540, 63.900, 39.130
Unit cell angles	90.00, 101.64, 90.00

Refinement procedure

Resolution	42.117 - 1.973
R-factor	0.1816
Rwork	0.179
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k8r 3wd5
RMSD bond length	0.005
RMSD bond angle	0.910
Data reduction software	MOSFLM
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.120	42.120	2.020
High resolution limit [Å]	1.970	8.820	1.970
Rmerge	0.124	0.039	0.787
Rpim	0.079	0.024	0.554
Total number of observations	100911	1196	6398
Number of reflections	29265
<I/σ(I)>	7.4	15.2	2.1
Completeness [%]	99.9	98.9	99.8
Redundancy	3.4	3.4	3
CC(1/2)	0.990	0.997	0.422

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	5.29mg/mL 114 Fab, 27% PEG 3350, 4.32% isopropanol, 0.1M HEPES pH 7.5, 0.1M calcium chloride, 0.01M sodium bromide