3P9C

Crystal structure of perennial ryegrass LpOMT1 bound to SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	67.699, 67.699, 249.794
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.015 - 1.800
Rwork	0.212
R-free	0.22640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kyz
RMSD bond length	0.005
RMSD bond angle	1.193
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Phasing software	MOLREP
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.015	47.015	1.900
High resolution limit [Å]	1.800	5.690	1.800
Rmerge		0.062	0.454
Total number of observations		16359	30121
Number of reflections	65047
<I/σ(I)>	10.4	8	1.7
Completeness [%]	100.0	99.8	100
Redundancy	7.2	8.2	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.1 M Tris-HCl, 21% (w/v) PEG 8000, 0.2 M calcium acetate, 2 mM dithiothreitol, 2.5 mM S-adenosyl-L-homocysteine, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K