5HIM

Crystal structure of glycine sarcosine N-methyltransferase from Methanohalophilus portucalensis in complex with S-adenosylhomocysteine and dimethylglycine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-19
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97622
Spacegroup name	I 2 2 2
Unit cell lengths	51.975, 121.219, 131.686
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.529 - 2.338
R-factor	0.1586
Rwork	0.156
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xva
RMSD bond length	0.008
RMSD bond angle	1.001
Data scaling software	HKL-2000
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.420
High resolution limit [Å]	2.338	2.338
Number of reflections	17982
<I/σ(I)>	20.6	3.8
Completeness [%]	100.0	100
Redundancy	5.9	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	Protein solution: GSMT (6.6 mg/ml) in 100 mM TES pH 7.3, 2 M KCl, 1 mM EDTA, 1 mM 2-Mercaptoethanol, 0.1 mM SAH and 0.2 M betaine. Crystallization reagent: 0.1 M Tris-HCl pH 8.5 and 1.5 M sodium chloride. SAH and dimethylglycine were soaked into crystals before data collection.