1LT7

Oxidized Homo sapiens betaine-homocysteine S-methyltransferase in complex with four Sm(III) ions

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2002-08-12
Detector	MARRESEARCH
Wavelength(s)	1.845, 1.746
Spacegroup name	C 1 2 1
Unit cell lengths	109.990, 90.085, 89.085
Unit cell angles	90.00, 122.10, 90.00

Refinement procedure

Resolution	10.000 * - 2.150
R-factor	0.218
Rwork	0.203
R-free	0.24800 *
Structure solution method	MAD
RMSD bond length	0.018 *
RMSD bond angle	1.802 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.046	0.213
Total number of observations	148174 *
Number of reflections	40062 *
<I/σ(I)>	17.3	3.41
Completeness [%]	99.9	99.9
Redundancy	3.7 *	1.82

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.2	22 *	PEG 200, sodium citrate, N,N-dimethylglycine, samarium (III) acetate, pH 5.2, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	Tris	20 (mM)	pH8.0
3	1	drop	beta-mercaptoethanol	5 (mM)
4	1	drop	DMG	10 (mM)
5	1	drop	PEG200	40 (%)
6	1	drop	sodium citrate	0.1 (M)	pH5.20
7	1	reservoir	PEG200	40 (%)
8	1	reservoir	sodium citrate	0.1 (M)	pH5.20