4OMF

The F420-reducing [NiFe]-hydrogenase complex from Methanothermobacter marburgensis, the first X-ray structure of a group 3 family member

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-05-05
Detector	PSI PILATUS 6M
Wavelength(s)	1.0, 1.71
Spacegroup name	F 2 3
Unit cell lengths	233.160, 233.160, 233.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.990 - 1.710
R-factor	0.152
Rwork	0.150
R-free	0.18100
Structure solution method	cryo-EM model of FrhABG complex and calculated SAD phases were combined
RMSD bond length	0.011
RMSD bond angle	1.317
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHARP
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.700
Number of reflections	112689
Completeness [%]	86.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	281	17-20 % PEE797, 100 mM MES/NaOH, 400 mM MgCl2, 5% glycerol, 100 mM trimethylamine oxide, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 281.0K