3T7T

Crystal structure of complex of SAH and BVU_3255, a methyltransferase from Bacteroides vulgatus ATCC 8482

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-30
Detector	Bruker Platinum 135
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	73.979, 107.048, 133.099
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.500
R-factor	0.22
Rwork	0.220
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3e7p
RMSD bond length	0.009
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP (MR)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.500
Number of reflections	35718
<I/σ(I)>	10.42
Completeness [%]	100.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	120mM (NH4)(NO3), 16% w/v PEG 3350, 200mM non-detergent sulfobetaine 221 (NDSB-221), VAPOR DIFFUSION, HANGING DROP, temperature 298K