7LKB

Crystal structure of PfCSP peptide 21 with vaccine-elicited human anti-malaria antibody m42.127

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	2020-08-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 1
Unit cell lengths	54.888, 58.182, 75.198
Unit cell angles	87.46, 77.52, 72.04

Refinement procedure

Resolution	36.700 - 1.800
R-factor	0.1832
Rwork	0.181
R-free	0.21720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b5m
RMSD bond length	0.005
RMSD bond angle	0.906
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (dev_3936)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.041	0.020	0.311
Rmeas	0.055	0.026	0.422
Rpim	0.037	0.017	0.283
Total number of observations	146677
Number of reflections	70885	3579	3605
<I/σ(I)>	12.2
Completeness [%]	89.3	90.3	90.3
Redundancy	2.1	2.1	2.1
CC(1/2)		0.998	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Sodium acetate trihydrate pH 4.5, and 30% w/v polyethylene glycol 1500