6WG0

Crystal structure of Fab366 in complex with NPNA3 peptide from circumsporozoite protein

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	2019-10-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03320
Spacegroup name	P 21 21 21
Unit cell lengths	59.662, 68.713, 108.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.050 - 1.599
R-factor	0.1896
Rwork	0.189
R-free	0.21140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Homology model
RMSD bond length	0.007
RMSD bond angle	0.890
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.630
High resolution limit [Å]	1.599	1.599
Rpim	0.022	0.326
Number of reflections	56859	1420
<I/σ(I)>	28.9	1
Completeness [%]	95.1	48.4
Redundancy	11.7	2.9
CC(1/2)	0.954	0.719

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.6	277.15	40% PEG600, 0.1 M CHES, pH 9.5