6D0X

Crystal structure of chimeric H.2140 / K.1210 Fab in complex with circumsporozoite protein NANP3

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	2017-02-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03327
Spacegroup name	P 43 21 2
Unit cell lengths	83.113, 83.113, 157.166
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.291 - 1.849
R-factor	0.1803
Rwork	0.179
R-free	0.20930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.211
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.950
High resolution limit [Å]	1.850	1.850
Rmerge	0.068	0.755
Rpim	0.020	0.223
Number of reflections	47923	6923
<I/σ(I)>	21.8	1.7
Completeness [%]	99.7	98.5
Redundancy	12.6	12.2
CC(1/2)	0.999	0.766

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	0.1M MES pH 6.5, 20% (w/v) PEG4000, 0.6M NaCl