2I6G

Crystal structure of a putative methyltransferase (tehb, stm1608) from salmonella typhimurium lt2 at 1.90 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	2006-07-02
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97927,0.97913
Spacegroup name	P 21 21 2
Unit cell lengths	100.889, 60.155, 72.249
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.604 - 1.900
R-factor	0.192
Rwork	0.190
R-free	0.23300
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.426
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.604	29.610	1.950
High resolution limit [Å]	1.800	8.500	1.900
Rmerge	0.115	0.057	0.624
Total number of observations		1376	9486
Number of reflections	35397
<I/σ(I)>	5	7.8	1.2
Completeness [%]	100.0	96.5	100
Redundancy	3.6	3.1	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	8.5	277	0.2M NaOAc, 30.0% PEG-4000, 0.1M TRIS pH 8.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K