6W00

Crystal structure of Fab239 in complex with NPNA2 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	2018-10-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03321
Spacegroup name	P 43 21 2
Unit cell lengths	121.517, 121.517, 82.611
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.946 - 1.853
R-factor	0.1882
Rwork	0.187
R-free	0.20560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Homology model
RMSD bond length	0.009
RMSD bond angle	0.871
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	1.880
High resolution limit [Å]	1.850	1.850
Rpim		0.303
Number of reflections	52998	2623
<I/σ(I)>	18.6	1.9
Completeness [%]	100.0
Redundancy	13.3
CC(1/2)	0.951	0.725

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2 M sodium chloride, 20% w/v PEG3350