6J5F

Complex structure of MAb 4.2-scFv with tick-borne encephalitis virus envelope protein Domain III

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	I 2 2 2
Unit cell lengths	92.668, 95.461, 99.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.954 - 1.801
R-factor	0.18
Rwork	0.179
R-free	0.19240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1svb 5grj
RMSD bond length	0.010
RMSD bond angle	0.871
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.103
Number of reflections	41293	4076
<I/σ(I)>	27.6	9.4
Completeness [%]	99.9	99.9
Redundancy	12.7	11.2
CC(1/2)	0.998	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	1% w/v tryptone, 0.05M HEPES sodium pH 7.0, 20% w/v PEG 3350