2P7I

CRYSTAL STRUCTURE OF a SAM dependent methyl-transferase type 12 family protein (ECA1738) FROM PECTOBACTERIUM ATROSEPTICUM SCRI1043 AT 1.74 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-03-02
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97899, 0.97925
Spacegroup name	I 4 2 2
Unit cell lengths	120.830, 120.830, 149.967
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.111 - 1.740
R-factor	0.156
Rwork	0.155
R-free	0.18000
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.450
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.3.0034)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.111	29.110	1.790
High resolution limit [Å]	1.740	7.780	1.740
Rmerge	0.090	0.011	0.011
Total number of observations		4422	30658
Number of reflections	56875
<I/σ(I)>	6.3	17.4	0.7
Completeness [%]	100.0	96.1	100
Redundancy	7.3	6.4	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	NANODROP, 64.4% 2-methyl-2,4-pentanediol, 0.1M Tris-HCl pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K