5HII

Crystal structure of glycine sarcosine N-methyltransferase (GSMT) from Methanohalophilus portucalensis (apo form)

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	2011-03-23
Detector	ADSC QUANTUM 210
Wavelength(s)	0.976
Spacegroup name	I 2 2 2
Unit cell lengths	51.729, 120.450, 130.941
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.544 - 1.900
R-factor	0.1719
Rwork	0.171
R-free	0.19670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xva
RMSD bond length	0.006
RMSD bond angle	0.938
Data scaling software	HKL-2000
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.960
High resolution limit [Å]	1.900	1.900
Number of reflections	32198
<I/σ(I)>	27.6	3.9
Completeness [%]	99.2	100
Redundancy	5.4	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	Protein solution: GSMT (6.6 mg/ml) in 50 mM Tris-HCl pH 7.5, 200 mM NaCl, 1 mM EDTA and 1 mM 2-Mercaptoethanol. Crystallization reagent: 0.1 M Tris-HCl pH 8.5, 0.2 M sodium chloride, 25% (w/v) PEG 3350.