2P8J

Crystal structure of S-adenosylmethionine-dependent methyltransferase (NP_349143.1) from Clostridium acetobutylicum at 2.00 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	2007-01-18
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162, 0.97908, 0.97879
Spacegroup name	P 31 2 1
Unit cell lengths	83.860, 83.860, 159.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.160 - 2.000
R-factor	0.167
Rwork	0.165
R-free	0.20100
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.352
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.975	50.000	2.050
High resolution limit [Å]	2.000	4.820	2.000
Rmerge	0.044	0.032	0.325
Number of reflections	44338
<I/σ(I)>	21.1		3.09
Completeness [%]	99.6	96.3	99.6
Redundancy	4.9	4.7	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	277	NANODROP, 0.2M (NH4)2SO4, 10.0% Glycerol, 20.0% PEG 300, 0.1M Phosphate Citrate pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K