8R40

Crystal structure of diabody CR57 in complex with rabies virus protein G domain III

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-24
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.95373
Spacegroup name	P 2 2 21
Unit cell lengths	57.200, 69.720, 190.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.280 - 2.700
R-factor	0.2191
Rwork	0.217
R-free	0.25860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.512
Data reduction software	xia2 (3.10.1)
Data scaling software	xia2 (3.10.1)
Phasing software	PHENIX (1.19rc6-4061)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.480	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.141	1.400
Rpim	0.040	0.392
Number of reflections	21737	1067
<I/σ(I)>	13.6	1.8
Completeness [%]	100.0
Redundancy	13.4	13.4
CC(1/2)	0.999	0.689

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	Crystallized in condition containing 0.1 M calcium chloride, 0.1 M imidazole pH 6.5, 10 % (v/v) 2-propanol and 30 % (w/v) PEG1500.