1H0H

Tungsten containing Formate Dehydrogenase from Desulfovibrio Gigas

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	1999-11-15
Detector	MARRESEARCH
Wavelength(s)	0.992,1.214,1.735,1.7415
Spacegroup name	P 1 21 1
Unit cell lengths	73.408, 110.398, 156.185
Unit cell angles	90.00, 93.53, 90.00

Refinement procedure

Resolution	35.000 - 1.800
R-factor	0.169
Rwork	0.167
R-free	0.21300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nap
RMSD bond length	0.019 *
RMSD bond angle	1.792 *
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	1.880
High resolution limit [Å]	1.800	1.800
Rmerge	0.078	0.600
Total number of observations	208782 *
Number of reflections	10979 *
<I/σ(I)>	5	2
Completeness [%]	92.0	70
Redundancy	1.9	1.65

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5	4 *	used macroseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	HEPES	0.1 (M)	pH7.5
2	1	drop	PEG3350	20 (%(w/v))
3	1	drop	isopropanol	10 (%(v/v))
4	1	drop	beta-octylglucoside	1 (%)