3SM3

Crystal Structure of SAM-dependent methyltransferases Q8PUK2_METMA from Methanosarcina mazei. Northeast Structural Genomics Consortium Target MaR262.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-17
Detector	MAR CCD 165 mm
Wavelength(s)	0.97908
Spacegroup name	P 41 2 2
Unit cell lengths	51.589, 51.589, 207.028
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.817 - 2.197
R-factor	0.195
Rwork	0.192
R-free	0.24600
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.151
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	PHENIX (1.6_289)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.197	2.200
Rmerge	0.107	0.723
Number of reflections	54511
<I/σ(I)>	20.1	2.38
Completeness [%]	100.0	100
Redundancy	5.5	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microbatch crystallization under oil	7.5	277	27% PEG 400, 0.2 M calcium chloride, 5% glycerol, 0.1 M HEPES, pH 7.5 , Microbatch crystallization under oil , temperature 277K