6UTE

Crystal structure of Z032 Fab in complex with WNV EDIII

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-10-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	96.230, 114.020, 127.260
Unit cell angles	90.00, 109.50, 90.00

Refinement procedure

Resolution	39.990 - 2.900
R-factor	0.2252
Rwork	0.223
R-free	0.26410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vig 1ztx
RMSD bond length	0.002
RMSD bond angle	0.539
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.990	3.004
High resolution limit [Å]	2.900	2.900
Rpim	0.095	0.504
Number of reflections	57405	5695
<I/σ(I)>	5.6
Completeness [%]	99.7	99.5
Redundancy	3.1	3.1
CC(1/2)	0.980	0.640

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M sodium bromide, 20% w/v polyethylene glycol 3,350