8F9T

Crystal structure of Ky15.2 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	2020-12-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	46.226, 88.672, 113.715
Unit cell angles	90.00, 101.20, 90.00

Refinement procedure

Resolution	30.310 - 1.850
R-factor	0.1731
Rwork	0.172
R-free	0.21630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6d01
RMSD bond length	0.008
RMSD bond angle	0.978
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	1.880
High resolution limit [Å]	1.850	1.850
Number of reflections	76702	3546
<I/σ(I)>	10.3
Completeness [%]	99.9
Redundancy	6.6
CC(1/2)	0.997	0.593

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M CHES pH 9.5, 20% (w/v) PEG8000