5GWX

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

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	2016-08-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97622
Spacegroup name	I 2 2 2
Unit cell lengths	51.733, 120.710, 130.922
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.195 - 2.205
R-factor	0.175
Rwork	0.173
R-free	0.20360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hil
RMSD bond length	0.007
RMSD bond angle	0.815
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.195	2.280
High resolution limit [Å]	2.205	2.200
Number of reflections	20701
<I/σ(I)>	18.075
Completeness [%]	98.0
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	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 sarcosine. Crystallization reagent: 0.2 M Potassium sodium tartrate tetrahydrate and 20% (w/v) Polyethylene Glycol 3350. 2 mM SAM and 685 mM sarcosine were soaked into crystals before data collection