6X8S

Crystal structure of 3D11 Fab in complex with Plasmodium berghei circumsporozoite protein NAND 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	2019-03-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033200
Spacegroup name	P 32 2 1
Unit cell lengths	59.651, 59.651, 234.901
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.150 - 1.550
R-factor	0.1628
Rwork	0.162
R-free	0.18460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	internal
RMSD bond length	0.015
RMSD bond angle	1.425
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.650
High resolution limit [Å]	1.550	1.550
Number of reflections	70664	11753
<I/σ(I)>	13.8
Completeness [%]	98.3
Redundancy	9.5
CC(1/2)	0.990	0.567

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	20% (w/v) PEG 3350, 0.2 M di-sodium tartrate