6YJW

Structure of Fragaria ananassa O-methyltransferase crystallized with PAS polypeptide

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 PILATUS3 2M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	70.932, 89.332, 150.897
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.780 - 2.100
R-factor	0.1732
Rwork	0.172
R-free	0.19960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6i71
RMSD bond length	0.013
RMSD bond angle	1.560
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.780	34.780	2.200
High resolution limit [Å]	2.100	10.000	2.100
Rmerge	0.101	0.025	1.014
Rmeas	0.107	0.027	1.080
Total number of observations	504350
Number of reflections	56709	588	7296
<I/σ(I)>	18.29	55.21	2.46
Completeness [%]	99.9	96.2	99.9
Redundancy	8.894	7.816	8.624
CC(1/2)	0.999	1.000	0.706

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	12.5 % (w/v) PA200 0.1 M Hepes/NaOH 0.2 M MgCl2