1M6Y

Crystal Structure Analysis of TM0872, a Putative SAM-dependent Methyltransferase, Complexed with SAH

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	170
Detector technology	CCD
Collection date	2002-04-03
Detector	MARRESEARCH
Wavelength(s)	0.9787, 0.9785, 0.9537
Spacegroup name	P 21 3
Unit cell lengths	133.400, 133.400, 133.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 1.900
Rwork	0.197
R-free	0.21200
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	22.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.02)
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.890	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.072	0.341
Total number of observations	854224 *
Number of reflections	62341 *
<I/σ(I)>	22	4.7
Completeness [%]	99.9	99.7
Redundancy	13.7	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	4 *	Drop: 50mM Na Cacodylate pH 6.5, 5mM HEPES pH 7.5, 0.1M Ammonium Sulfate, 9% PEG 8000, 0.25M NaCl, 1mM BME, 0.3mM S-adenosyl-L-homocysteine, 10mg/ml protein. Well: 0.1M Na Cacodylate pH 6.5, 0.1M Ammonium Sulfate, 18 % PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	sodium cacodylate	50 (mM)	pH6.5
10	1	reservoir	ammonium sulfate	0.2 (M)
11	1	reservoir	PEG8000	18 (%)
2	1	drop	HEPES	5 (mM)	pH7.5
3	1	drop	ammonium sulfate	0.1 (M)
4	1	drop	PEG8000	9 (%)
5	1	drop		0.25 (M)
6	1	drop	beta-mercaptoethanol	1 (mM)
7	1	drop	S-adenosyl-L-homocysteine	0.3 (mM)
8	1	drop	protein	10 (mg/ml)
9	1	reservoir	sodium cacodylate	0.1 (M)	pH6.5