5VIC

Crystal structure of anti-Zika antibody Z004 bound to DENV-1 Envelope protein DIII

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 43 21 2
Unit cell lengths	74.225, 74.225, 190.758
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.113 - 3.000
R-factor	0.2369
Rwork	0.235
R-free	0.28580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.633
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.31)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.230	74.230	2.830
High resolution limit [Å]	2.700	8.960	2.700
Rmerge	0.235	0.058	1.767
Rmeas	0.247	0.061	1.855
Rpim	0.073	0.019	0.554
Number of reflections	15181
<I/σ(I)>	8.7
Completeness [%]	98.6	97.3	99.6
Redundancy	10.9	9.5	10.8
CC(1/2)	0.993	0.998	0.577

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	295	0.1M sodium acetate trihydrate pH 4.5, 30% w/v PEG 1500