8S7L

Crystal structure of a double mutant of VirB8-like OrfG central and C-terminal domains of Streptococcus thermophilus ICESt3 (Gram positive conjugative type IV secretion system).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-11
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.967697
Spacegroup name	C 1 2 1
Unit cell lengths	152.743, 89.185, 98.424
Unit cell angles	90.00, 112.31, 90.00

Refinement procedure

Resolution	91.054 - 2.600
Rwork	0.202
R-free	0.25630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	2.562
Data reduction software	XDS
Data scaling software	pointless (1.12.15)
Phasing software	MOLREP (11.9.02)
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.054	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.062	0.665
Rmeas	0.087	0.933
Rpim	0.061	0.653
Number of reflections	37215	4577
<I/σ(I)>	10.6	1.8
Completeness [%]	98.8	99.8
Redundancy	3.1	3.3
CC(1/2)	0.995	0.682

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Droplet: 0.3 ul [protein (33mg/ml) in 50 mM Tris pH 8.0 + 100 mM NaCl] + 0.3 ul [reservoir] Reservoir: 50 ul [40% v/v PEG 300, 100 mM potassium phosphate citrate, pH 4.2]