7UX8

Crystal structure of MfnG, an L- and D-tyrosine O-methyltransferase from the marformycin biosynthesis pathway of Streptomyces drozdowiczii, with SAH and L-Tyrosine bound at 1.4 A resolution (P212121 - form II)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-05
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	60.837, 87.167, 134.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.300 - 1.400
R-factor	0.154
Rwork	0.153
R-free	0.17200
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7ux7
RMSD bond length	0.006
RMSD bond angle	1.004
Data reduction software	XDS (Feb 5, 2021)
Data scaling software	XDS (Feb 5, 2021)
Phasing software	PHENIX (1.19)
Refinement software	PHENIX (1.20.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.300	31.300	1.480
High resolution limit [Å]	1.400	4.190	1.400
Rmerge	0.110	0.048	1.903
Rmeas	0.114	0.049	2.000
Number of reflections	141301	5661	22390
<I/σ(I)>	15.37	59.2	0.94
Completeness [%]	99.7	99.9	98.6
Redundancy	13.109	13.755	10.496
CC(1/2)	0.999	0.999	0.456

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	0.1 M Tris pH 8, 30% Polyethylene glycol monomethyl ether (PEG MME) 2000, Additive: 0.002 M S-Adenosyl methionine (SAM/AdoMet), Soaking: added crystaline L-Tyrosine to the drop after MfnG crystals were formed