6O26

Crystal structure of 3246 Fab in complex with circumsporozoite protein NANA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-06
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.03320
Spacegroup name	P 21 2 21
Unit cell lengths	67.141, 68.682, 104.212
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.308 - 1.800
R-factor	0.1654
Rwork	0.163
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.152
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.14_3260))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.082	0.717
Rpim	0.035	0.302
Number of reflections	45439	2139
<I/σ(I)>	14.9	1.5
Completeness [%]	100.0	100
Redundancy	6.5	6.6
CC(1/2)	0.990	0.532

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	10 % (v/v) isopropanol, 20 % (w/v) PEG4000, 0.1 M HEPES pH 7.5 and 10 % (w/v) ethylene glycol