8F9S

Crystal structure of Ky15.2 Fab in complex with circumsporozoite protein NDN peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033192
Spacegroup name	P 1 21 1
Unit cell lengths	45.479, 77.853, 123.649
Unit cell angles	90.00, 91.68, 90.00

Refinement procedure

Resolution	39.260 - 2.100
R-factor	0.2063
Rwork	0.205
R-free	0.22810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.614
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.130
High resolution limit [Å]	2.100	2.100
Number of reflections	50174	2056
<I/σ(I)>	13.3
Completeness [%]	99.4
Redundancy	6.9
CC(1/2)	0.998	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2 M ammonium fluoride, 20% (w/v) PEG3350