7UXL

Crystal structure of malaria transmission-blocking antigen Pfs48/45-6C variant in complex with human antibodies RUPA-44 and RUPA-29

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	2021-06-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033190
Spacegroup name	I 2 3
Unit cell lengths	223.081, 223.081, 223.081
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.810 - 2.860
R-factor	0.1852
Rwork	0.183
R-free	0.22180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qf1 7k8p 6e63
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]	29.810	2.910
High resolution limit [Å]	2.860	2.860
Rmerge	0.157	0.927
Rpim	0.025	0.146
Number of reflections	42583	2126
<I/σ(I)>	23.2	1.5
Completeness [%]	99.9	100
Redundancy	40.8	41
CC(1/2)	0.999	0.612

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.2 M calcium acetate, 0.1 M MES, and 20 % (w/v) polyethylene glycol 8000