5H02

Crystal structure of Methanohalophilus portucalensis glycine sarcosine N-methyltransferase tetramutant (H21G, E23T, E24N, L28S)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-15
Detector	RAYONIX MX300HE
Wavelength(s)	1.00000
Spacegroup name	I 2 2 2
Unit cell lengths	51.874, 120.803, 131.301
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.888 - 1.776
R-factor	0.1775
Rwork	0.176
R-free	0.19580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hil
RMSD bond length	0.006
RMSD bond angle	0.796
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.8_1069)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.820
High resolution limit [Å]	1.776	1.780
Number of reflections	40112
<I/σ(I)>	31.518
Completeness [%]	100.0
Redundancy	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	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 50 mM glycine. Crystallization reagent: 0.2 M Ammonium phosphate monobasic. 0.23 M ammonia phosphate monobasic, 0.1 mM SAH and 3.35 M betaine were used as cryoprotectant before data collection