7K93

DENV2 NS1 in complex with neutralizing 2B7 single chain Fab variable region (scFv)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	69.627, 165.593, 258.589
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.380 - 2.890
R-factor	0.2244
Rwork	0.223
R-free	0.26860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ewq
RMSD bond length	0.010
RMSD bond angle	1.199
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.380	2.994
High resolution limit [Å]	2.890	2.890
Rmerge	0.198	2.319
Rmeas	0.206	2.411
Rpim	0.057	0.653
Number of reflections	67710	6307
<I/σ(I)>	11.4	1.18
Completeness [%]	99.3
Redundancy	13.2
CC(1/2)	0.998	0.532

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	50 mM Tris pH 8.5, 50 mM (NH4)2SO4, 10% (v/v) glycerol