1M6H

Human glutathione-dependent formaldehyde dehydrogenase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Temperature [K]	100
Detector technology	CCD
Collection date	2001-02-21
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9790,1.2770,1.2833,1.2882
Spacegroup name	P 43 21 2
Unit cell lengths	78.620, 78.620, 309.659
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.187
Rwork	0.185
R-free	0.21800
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.500 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.069	0.438
Total number of observations	508528 *
Number of reflections	64501
<I/σ(I)>	24	4.3
Completeness [%]	96.1	87.6
Redundancy	7.9	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	4 *	PEG 8000, Potassium phosphate, Zinc chloride, Dithiotreitol, pH 6.9, VAPOR DIFFUSION, SITTING DROP at 277K
1	VAPOR DIFFUSION, SITTING DROP	6.9	4 *	PEG 8000, Potassium phosphate, Zinc chloride, Dithiotreitol, pH 6.9, VAPOR DIFFUSION, SITTING DROP at 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	potassium phosphate	0.1 (M)	pH6.9-7.1
3	1	reservoir		0.100 (mM)
4	1	reservoir	dithiothreitol	1 (mM)
5	1	reservoir	PEG8000	12-15 (%)