7UX7

Crystal structure of MfnG, an L- and D-tyrosine O-methyltransferase from the marformycin biosynthesis pathway of Streptomyces drozdowiczii, with SAH bound at 1.2 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	2021-02-10
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	60.694, 86.334, 134.504
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.180 - 1.140
R-factor	0.121
Rwork	0.119
R-free	0.14200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ux6
RMSD bond length	0.013
RMSD bond angle	1.350
Data reduction software	XDS (Jan 31, 2020)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.655	1.204
High resolution limit [Å]	1.139	1.139
Rmerge	0.143	1.568
Rmeas	0.145	1.603
Rpim	0.025	0.322
Total number of observations	7017400	247895
Number of reflections	214260	10668
<I/σ(I)>	15.13	2.17
Completeness [%]	89.6	42.5
Redundancy	32.75	23.24
CC(1/2)	0.996	0.727

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1 M Tris pH 8, 30% Polyethylene glycol monomethyl ether (PEG MME) 2000, Additive: 0.002 M S-Adenosyl methionine (SAM/AdoMet)