8GMX

Crystal structure of pilin-specific sortase SrtC2 from Lactobacillus rhamnosus GG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-09
Detector	DECTRIS PILATUS3 X 2M
Wavelength(s)	0.873128
Spacegroup name	P 32 2 1
Unit cell lengths	80.400, 80.400, 46.895
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.810 - 2.610
R-factor	0.2075
Rwork	0.205
R-free	0.24890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cg9
RMSD bond length	0.002
RMSD bond angle	0.542
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.814	2.680
High resolution limit [Å]	2.604	2.604
Rpim	0.077	0.610
Number of reflections	4625	231
<I/σ(I)>	7.6	1.2
Completeness [%]	83.2
Redundancy	8.1
CC(1/2)	0.992	0.415

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	295	0.05 M Citric acid, 0.05 M BIS-TRIS propane pH 5.0, 16% w/v Polyethylene glycol 3350