3LX4

Stepwise [FeFe]-hydrogenase H-cluster assembly revealed in the structure of HydA(deltaEFG)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Detector technology	CCD
Collection date	2008-12-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95369
Spacegroup name	P 32
Unit cell lengths	70.895, 70.895, 155.429
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.970
R-factor	0.173
Rwork	0.170
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1feh
RMSD bond length	0.006
RMSD bond angle	0.924
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.040
High resolution limit [Å]	1.970	1.970
Number of reflections	60782
<I/σ(I)>		2.4
Completeness [%]	97.9	97.2
Redundancy	4.4	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	capillary batch diffusion	6.5	298	25.5% PEG 8000, 0.085 M sodium cacodylate, 0.17 M sodium acetate trihydrate, 1 mM dithionite, pH 6.5, capillary batch diffusion, temperature 298.0K