8FAT

Crystal structure of Ky224 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	2021-07-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	64.515, 115.262, 120.385
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.900 - 2.950
R-factor	0.2265
Rwork	0.224
R-free	0.27430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6o25
RMSD bond length	0.002
RMSD bond angle	0.509
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	3.000
High resolution limit [Å]	2.950	2.950
Number of reflections	19561	929
<I/σ(I)>	7.3
Completeness [%]	99.8
Redundancy	10.7
CC(1/2)	0.981	0.569

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	2 M ammonium sulfate, 0.1 M sodium acetate pH 4.6