1MC5

Ternary complex of Human glutathione-dependent formaldehyde dehydrogenase with S-(hydroxymethyl)glutathione and NADH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	217
Detector technology	IMAGE PLATE
Collection date	2000-08-02
Detector	RIGAKU RAXIS II
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	78.656, 78.656, 311.428
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.000 * - 2.600
R-factor	0.197
Rwork	0.197
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m6h
RMSD bond length	0.006
RMSD bond angle	24.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.000	2.690
High resolution limit [Å]	2.600	2.590
Rmerge	0.035	0.141
Total number of observations	117217 *
Number of reflections	27884
<I/σ(I)>	31.2	5.9
Completeness [%]	88.2	70.2
Redundancy	4.2	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1 *	4 *	PEG8000, Potassium phosphate, zinc sulphate, glutathione, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	15-20 (mg/ml)
2	1	reservoir	phosphate	0.1 (M)	pH7.1
3	1	reservoir		100 (mM)
4	1	reservoir	dithiothreitol	1 (mM)
5	1	reservoir	PEG8000	12-16 (%)