1HFE

1.6 A RESOLUTION STRUCTURE OF THE FE-ONLY HYDROGENASE FROM DESULFOVIBRIO DESULFURICANS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	1998-05
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	128.970, 123.070, 65.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	7.000 - 1.600
Rwork	0.158
R-free	0.18200
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	24.100 *
Data reduction software	MOSFLM
Data scaling software	CCP4
Phasing software	MLPHARE
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.000	1.600
High resolution limit [Å]	1.510	1.510
Rmerge	0.071 *	0.452 *
Number of reflections	158363
<I/σ(I)>	4.8	1.1
Completeness [%]	94.3	89.2
Redundancy	6.4	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5 *		pH 7.60

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000		or ammonium sulfate
2	1	reservoir	sodium acetate	100 (mM)	pH5.0
3	1	reservoir	Tris	50 (mM)	pH8.0