6ULE

Crystal structure of 2541 Fab in complex with circumsporozoite protein NANP5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033167
Spacegroup name	P 1 21 1
Unit cell lengths	66.770, 63.694, 146.654
Unit cell angles	90.00, 101.00, 90.00

Refinement procedure

Resolution	38.330 - 2.550
R-factor	0.211
Rwork	0.208
R-free	0.25880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6d01
RMSD bond length	0.002
RMSD bond angle	0.506
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.590
High resolution limit [Å]	2.550	2.550
Rmerge	0.095	0.749
Rpim	0.039
Number of reflections	39583	1755
<I/σ(I)>	13.8
Completeness [%]	99.4
Redundancy	6.8
CC(1/2)	0.990	0.701

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	1.8 M ammonium sulfate, 0.1 M citric acid pH 3.6