5EN2

Molecular basis for antibody-mediated neutralization of New World hemorrhagic fever mammarenaviruses

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-26
Detector	PSI PILATUS 6M
Wavelength(s)	0.97890
Spacegroup name	P 21 21 21
Unit cell lengths	52.110, 74.790, 177.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.930 - 1.821
R-factor	0.1827
Rwork	0.180
R-free	0.22440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kas 3fmg
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER (2.5.5)
Refinement software	BUSTER-TNT (BUSTER 2.10.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	68.930	68.930	1.920
High resolution limit [Å]	1.821	5.760	1.820
Rmerge		0.068	1.418
Rmeas	0.248
Rpim	0.101	0.031	0.648
Total number of observations	371895	12483	51454
Number of reflections	63113
<I/σ(I)>	6.7	16.4	1.5
Completeness [%]	99.9	99.9	99.9
Redundancy	5.9	5.6	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	298	JUNV GP1 and GD01 Fab, when mixed in equimolar ratio crystallized in mother liquor containing 24% PEG 3350 (v/v), 10 mM Tris, pH 8.0, 150 mM NaCl.