3CC8

Crystal structure of a putative methyltransferase (bce_1332) from bacillus cereus atcc 10987 at 1.64 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	2008-01-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97964, 0.97978
Spacegroup name	C 1 2 1
Unit cell lengths	91.223, 54.399, 52.751
Unit cell angles	90.00, 109.50, 90.00

Refinement procedure

Resolution	28.194 - 1.640
R-factor	0.167
Rwork	0.165
R-free	0.20000
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.561
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.194	28.194	1.680
High resolution limit [Å]	1.640	7.330	1.640
Rmerge	0.072	0.051	0.792
Total number of observations		1187	8153
Number of reflections	29308
<I/σ(I)>	6.5	11.9	0.9
Completeness [%]	98.1	95.5	96.8
Redundancy	3.9	3.5	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	NANODROP, 40.0% MPD, 5.0% PEG 8000, 0.1M Cacodylate pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K