7RD3

Crystal structure of PfCSP peptide 21 with vaccine-elicited human anti-malaria antibody m42.126

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-16
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1
Spacegroup name	P 1
Unit cell lengths	54.854, 57.176, 74.493
Unit cell angles	86.50, 76.86, 72.44

Refinement procedure

Resolution	44.380 - 1.810
R-factor	0.2183
Rwork	0.216
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b5l
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.840
High resolution limit [Å]	1.810	4.910	1.810
Rmerge	0.068	0.038	0.430
Rmeas	0.082	0.046	0.518
Rpim	0.046	0.025	0.285
Total number of observations	198861
Number of reflections	66229	3061	3262
<I/σ(I)>	7.5
Completeness [%]	86.3	79.6	84.8
Redundancy	3	2.8	2.9
CC(1/2)		0.997	0.876

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M sodium citrate tribasic dihydrate, pH 5.5, 18% w/v PEG3350