6X8P

Crystal structure of 3D11 Fab in complex with Plasmodium berghei circumsporozoite protein NPND peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-05
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.979329
Spacegroup name	P 32 2 1
Unit cell lengths	59.859, 59.859, 235.005
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.690 - 2.270
R-factor	0.1686
Rwork	0.166
R-free	0.22240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2eh7
RMSD bond length	0.006
RMSD bond angle	0.859
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.370
High resolution limit [Å]	2.270	2.270
Number of reflections	23398	2556
<I/σ(I)>	19
Completeness [%]	99.3	94.4
Redundancy	19.1
CC(1/2)	0.999	0.935

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293.15	25% (w/v) PEG 3350, 0.2 M lithium sulfate, 0.1 M Tris pH 8.5