6X8Q

Crystal structure of 3D11 Fab in complex with Plasmodium berghei circumsporozoite protein PAPP 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	2019-04-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033170
Spacegroup name	P 32 2 1
Unit cell lengths	59.349, 59.349, 233.542
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.620 - 1.600
R-factor	0.1594
Rwork	0.159
R-free	0.18760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	internal
RMSD bond length	0.015
RMSD bond angle	1.431
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	1.700
High resolution limit [Å]	1.600	1.600
Number of reflections	64371	10497
<I/σ(I)>	16.3
Completeness [%]	99.9
Redundancy	18.8
CC(1/2)	0.999	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	20% (w/v) PEG 3350, 0.15 M malic acid pH 7