1LT8

Reduced Homo sapiens Betaine-Homocysteine S-Methyltransferase in Complex with S-(delta-carboxybutyl)-L-Homocysteine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2001-11-26
Detector	ADSC QUANTUM 4
Wavelength(s)	0.900
Spacegroup name	C 1 2 1
Unit cell lengths	109.702, 90.836, 88.403
Unit cell angles	90.00, 122.28, 90.00

Refinement procedure

Resolution	10.000 - 2.050
R-factor	0.236
Rwork	0.226
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lt7
RMSD bond length	0.007
RMSD bond angle	1.426 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS (1.1)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.057	0.289
Total number of observations	131321 *
Number of reflections	46046 *
<I/σ(I)>	9.3	2.46
Completeness [%]	99.8	100
Redundancy	2.9 *	2.37

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.2	22 *	PEG 200, sodium citrate, N,N-dimethylglycine, pH 5.20, 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