22OW

Crystal structure of O-adenosylmethionine-dependent methyltransferase McbD in complex with SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-19
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.987
Spacegroup name	P 65 2 2
Unit cell lengths	132.072, 132.072, 250.433
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.910 - 3.000
Rwork	0.197
R-free	0.27150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.445
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.100))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.910	3.180
High resolution limit [Å]	3.000	3.000
Rmerge	0.037
Rmeas	0.052
Rpim	0.037
Number of reflections	26603	4210
<I/σ(I)>	12.6	2.9
Completeness [%]	100.0	100
Redundancy	1.8	1.9
CC(1/2)	0.999	0.809

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296.15	5 mM SAH under conditions of 0.1 M Tris (pH 8.0), 0.2 M (NH4)2SO4 and 17.2% PEG 8000