6I5Z

Papaver somniferum O-methyltransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-05-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 32 2 1
Unit cell lengths	111.148, 111.148, 302.380
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	101.000 - 3.000
R-factor	0.20721
Rwork	0.203
R-free	0.28932
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6i5q
RMSD bond length	0.008
RMSD bond angle	1.725
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	151.190	3.110
High resolution limit [Å]	3.000	3.000
Rmerge	0.099	1.873
Rpim	0.034	0.652
Number of reflections	44411	4590
<I/σ(I)>	16.3	1.3
Completeness [%]	100.0	100
Redundancy	10	10.1
CC(1/2)	0.999	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	PEG 2000, sodium succinate, HEPES