8FDC

Crystal structure of Ky311 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	2020-12-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	C 1 2 1
Unit cell lengths	119.019, 66.456, 84.037
Unit cell angles	90.00, 132.57, 90.00

Refinement procedure

Resolution	30.940 - 1.800
R-factor	0.2002
Rwork	0.199
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.683
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	1.830
High resolution limit [Å]	1.800	1.800
Number of reflections	44112	2104
<I/σ(I)>	7.1
Completeness [%]	98.5
Redundancy	6.2
CC(1/2)	0.935	0.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M HEPES pH 7.5, 0.2 M lithium sulfate, 25% PEG3350