7UNB

Crystal structure of malaria transmission-blocking antigen Pfs48/45-6C variant in complex with human antibodies RUPA-117 and RUPA-47

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	2021-07-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033190
Spacegroup name	P 21 21 21
Unit cell lengths	73.669, 127.160, 132.706
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.430 - 2.180
R-factor	0.1798
Rwork	0.178
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6GHG for RUPA-47; unpublished in-house structure for other components
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (v1.17.1-3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.430	2.210
High resolution limit [Å]	2.180	2.180
Rmerge	0.205	0.733
Rpim	0.059	0.281
Number of reflections	65804	2596
<I/σ(I)>	8.7	1.5
Completeness [%]	99.9	100
Redundancy	12.6	7.8
CC(1/2)	0.995	0.603

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2 M magnesium chloride, 25 % (w/v) polyethylene glycol 3350, and 0.1 M Tris