6O23

Crystal structure of 2243 Fab in complex with circumsporozoite protein NANP5

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	2018-03-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	79.148, 67.900, 100.357
Unit cell angles	90.00, 106.20, 90.00

Refinement procedure

Resolution	39.292 - 2.000
R-factor	0.187
Rwork	0.186
R-free	0.22440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.645
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	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.139	0.571
Rpim	0.089	0.385
Number of reflections	68815	2909
<I/σ(I)>	6.5	1.4
Completeness [%]	99.3	98
Redundancy	3.3	2.9
CC(1/2)	0.989	0.542

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	20 % (w/v) PEG 3350, 0.2 M ammonium sulfate