8FAN

Crystal structure of Ky15.1 Fab in complex with circumsporozoite protein KQPA 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	2020-07-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033170
Spacegroup name	P 63 2 2
Unit cell lengths	181.681, 181.681, 202.648
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.340 - 2.900
R-factor	0.217
Rwork	0.215
R-free	0.25010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u6v
RMSD bond length	0.002
RMSD bond angle	0.546
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	2.950
High resolution limit [Å]	2.900	2.900
Number of reflections	43443	2146
<I/σ(I)>	7.7
Completeness [%]	98.1
Redundancy	10
CC(1/2)	0.980	0.655

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	2.4 M ammonium sulfate, 0.1 M Tris pH 8.5