1FEH

FE-ONLY HYDROGENASE FROM CLOSTRIDIUM PASTEURIANUM

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL1-5
Synchrotron site	SSRL
Beamline	BL1-5
Temperature [K]	77
Collection date	1997-01-15
Wavelength(s)	1.9074, 1.7418, 1.7398, 1.5418
Spacegroup name	P 42 21 2
Unit cell lengths	111.600, 111.600, 103.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.18
Rwork	0.180
R-free	0.23500
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	22.800 *
Phasing software	MADSYS
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.067	0.316
Number of reflections	54582
<I/σ(I)>	20	4
Completeness [%]	90.1 *	82.6
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	microcapillary batch *	5.1		25% PEG4000, 0.1M SODIUM ACETATE PH 4.6, 0.2M AMMONIUM SULFATE, pH 5.1

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG4000	25 (%)
2	1	1	sodium acetate	0.1 (M)
3	1	1	ammonium sulfate	0.2 (M)
4	1	2	Tris	50 (mM)
5	1	2		0.2 (M)