7QUG

Crystal structure of carbon-sulfur lyase FnaPatB1 from Fusobacterium nucleatum subspecies animalis in complex with allyl-cysteine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM07
Synchrotron site	ESRF
Beamline	BM07
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979511
Spacegroup name	P 43 21 2
Unit cell lengths	106.049, 106.049, 204.062
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.290 - 2.600
R-factor	0.2173
Rwork	0.214
R-free	0.26780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qp2
RMSD bond length	0.009
RMSD bond angle	1.085
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.430	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.142	1.800
Rmeas	0.148
Number of reflections	36686	4403
<I/σ(I)>	15	1.6
Completeness [%]	100.0	100
Redundancy	13.1	13.4
CC(1/2)	1.000	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	40 % PEG 300, 0.2 M magnesium chloride in 0.1 M sodium cacodylate-HCl pH 6.5