3GU3

Crystal Structure of the methyltransferase BC_2162 in complex with S-Adenosyl-L-Homocysteine from Bacillus cereus, Northeast Structural Genomics Consortium Target BcR20

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-10
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97905
Spacegroup name	P 32
Unit cell lengths	90.793, 90.793, 122.627
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.920 - 2.300
R-factor	0.185
Rwork	0.184
R-free	0.21200
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SnB (& SOLVE/RESOLVE)
Refinement software	CNS (1.2 & XtalView)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.083	0.490
Number of reflections	100246
<I/σ(I)>	14.3	2.98
Completeness [%]	99.7	100
Redundancy	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	277	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5), and 10mM S-Adenosyl-L-Methionine . Reservoir solution: 100 mM Sodium Citrate and 5.76M Potassium Acetate , VAPOR DIFFUSION, HANGING DROP, temperature 277K