3IHT

Crystal structure of S-adenosyl-L-methionine methyl transferase (YP_165822.1) from SILICIBACTER POMEROYI DSS-3 at 1.80 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-14
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97934,0.97922
Spacegroup name	P 32 2 1
Unit cell lengths	97.568, 97.568, 85.813
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.934 - 1.800
R-factor	0.174
Rwork	0.173
R-free	0.19400
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.379
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.934	29.934	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.058	0.028	0.735
Number of reflections	43986	8514	7671
<I/σ(I)>	14.39	40	1.8
Completeness [%]	99.6	99.7	96.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	20.0000% Glycerol, 0.1600M Mg(oAc)2, 16.0000% PEG-8000, 0.1M Cacodylate pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K