9MN2

Crystal Structure of the B6C Region of the Group B Streptococcus Beta Antigen C Protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-03
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.97741
Spacegroup name	P 21 21 2
Unit cell lengths	61.734, 79.033, 81.185
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.140 - 2.050
R-factor	0.2456
Rwork	0.243
R-free	0.27410
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.474
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX (1.21rc1_5127)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.120
High resolution limit [Å]	2.050	4.420	2.050
Rmerge	0.092	0.040	1.565
Rmeas	0.096	0.041	1.646
Rpim	0.027	0.011	0.494
Number of reflections	47037	2736	2390
<I/σ(I)>	6.8
Completeness [%]	99.4	100	95.1
Redundancy	12.5	12.8	10.5
CC(1/2)	0.998	1.000	0.561

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M citric acid (pH 3.7), 34% (v/v) PEG-200