1N61

Crystal Structure of the Cu,Mo-CO Dehydrogenase (CODH); Dithionite reduced state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Wavelength(s)	1.06
Spacegroup name	P 21 21 21
Unit cell lengths	119.162, 131.375, 160.318
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.000 - 1.300
R-factor	0.145
Rwork	0.142
R-free	0.18000 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019 *
RMSD bond angle	1.747 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.000	1.320
High resolution limit [Å]	1.280 *	1.280
Rmerge	0.066 *
Total number of observations	2011470 *
Number of reflections	632876
Completeness [%]	98.9	97.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.3	281	Dobbek, H., (1999) Proc.Natl.Acad.Sci.USA, 96, 8884. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1		0.8 (M)
2	1	1		0.8 (M)
3	1	1	MPD	2 (%)
4	1	1	HEPES	100 (mM)	pH7.3