8GR6

Crystal Structure of pilus-specific Sortase C from Streptococcus sanguinis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-04
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.965459
Spacegroup name	H 3 2
Unit cell lengths	140.019, 140.019, 103.625
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.330 - 2.060
R-factor	0.1795
Rwork	0.178
R-free	0.19868
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4d7w
RMSD bond length	0.011
RMSD bond angle	1.438
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.331	2.092
High resolution limit [Å]	2.056	2.056
Rmerge	0.060	0.580
Rmeas	0.065	0.625
Rpim	0.024	0.230
Number of reflections	23670	1220
<I/σ(I)>	13.7	2.4
Completeness [%]	97.2	100
Redundancy	6.6	7.1
CC(1/2)	0.999	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	295	100mM Sodium acetate (pH 5.5), 200mM Ammonium-Sulphate and 10% (w/v) PEG 2000 MME and 12.5 mM Zinc-Chloride