6I70

Structure of Fragaria ananassa O-methyltransferase - apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-30
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9184
Spacegroup name	C 2 2 21
Unit cell lengths	74.203, 147.098, 131.057
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.730 - 2.100
R-factor	0.2034
Rwork	0.202
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6i73
RMSD bond length	0.012
RMSD bond angle	1.504
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.730	34.730	2.200
High resolution limit [Å]	2.100	10.000	2.100
Rmerge	0.061	0.024	1.267
Rmeas	0.065	0.025	1.336
Number of reflections	42203	431	5430
<I/σ(I)>	24.16	77.08	1.89
Completeness [%]	99.9	96	100
Redundancy	10.45	9.053	10.129
CC(1/2)	1.000	1.000	0.707

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20-30 % (w/v) PEG3350, 0.2 M Lithium nitrate, 0.1 M Hepes/Sodium