8TGT

Structure of human C4b-binding protein alpha chain CCP domains 1 and 2 in complex with the hypervariable region of group A Streptococcus M68 protein

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9789, 0.918, 0.9793
Spacegroup name	P 21 21 2
Unit cell lengths	107.037, 49.664, 80.403
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.630 - 2.500
R-factor	0.3158
Rwork	0.313
R-free	0.34410
Structure solution method	MAD
RMSD bond length	0.002
RMSD bond angle	0.342
Data reduction software	XDS
Data scaling software	pointless
Phasing software	AutoSol
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.300	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.275	3.524
Rmeas	0.286	3.666
Number of reflections	15422	1715
<I/σ(I)>	8.7	0.8
Completeness [%]	99.8	99.8
Redundancy	13.1	13.2
CC(1/2)	0.997	0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M MES pH 6.0, 14% PEG 3350, 10% ethylene glycol, 0.2 M calcium chloride, 1 mM DTT