3D2L

Crystal structure of SAM-dependent methyltransferase (ZP_00538691.1) from EXIGUOBACTERIUM SP. 255-15 at 1.90 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-01-23
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 1
Unit cell lengths	67.830, 70.920, 77.190
Unit cell angles	116.57, 104.63, 102.32

Refinement procedure

Resolution	29.374 - 1.900
R-factor	0.189
Rwork	0.187
R-free	0.22900
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.587
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.374	29.370	1.970
High resolution limit [Å]	1.900	4.080	1.900
Rmerge	0.051	0.024	0.649
Number of reflections	84662	17817	11976
<I/σ(I)>	14.73	38.4	2.28
Completeness [%]	92.2	96	63.7
Redundancy	7.86

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.2000M MgCl2, 20.0000% PEG-8000, 0.1M TRIS pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K