6MJG

Structure of dbOphMA in Complex with SAH and Methylated Peptide

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	2017-11-28
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97872 A
Spacegroup name	C 2 2 21
Unit cell lengths	106.408, 107.975, 79.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.123
R-factor	0.18833
Rwork	0.186
R-free	0.22701
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.529
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHELXS
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.790	2.160
High resolution limit [Å]	2.123	2.123
Rmerge	0.061	0.639
Rmeas	0.072	0.783
Rpim	0.037	0.444
Number of reflections	25211	1166
<I/σ(I)>	20.3	2.1
Completeness [%]	96.2	88.5
Redundancy	7	5.2
CC(1/2)	0.999	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	282.15	2 mM SAH mixed 0.24 or 0.26 M NaF, 26% PEG3350, and 0.1 M Bis-tris propane at pH 6.5