8FA9

Crystal structure of Ky15.5 Fab in complex with circumsporozoite protein NPDP peptide

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]	100
Detector technology	PIXEL
Collection date	2021-06-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03319
Spacegroup name	C 1 2 1
Unit cell lengths	99.852, 87.786, 71.587
Unit cell angles	90.00, 119.28, 90.00

Refinement procedure

Resolution	28.140 - 2.450
R-factor	0.188
Rwork	0.187
R-free	0.21220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.597
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19_4080)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.490
High resolution limit [Å]	2.450	2.450
Number of reflections	18410	894
<I/σ(I)>	8.2
Completeness [%]	92.1
Redundancy	2.5
CC(1/2)	0.990	0.571

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	20% PEG3350, 0.2 M tri-lithium citrate