3WB0

HcgB from Methanocaldococcus jannaschii in complex with light-decomposed FeGP cofactor of [Fe]-hydrogenase

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	2012-06-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	52.960, 119.340, 55.650
Unit cell angles	90.00, 115.14, 90.00

Refinement procedure

Resolution	47.940 - 1.910
R-factor	0.2291
Rwork	0.227
R-free	0.27520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3brc
RMSD bond length	0.017
RMSD bond angle	2.031
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.000
High resolution limit [Å]	1.900	12.000	1.900
Rmerge	0.085	0.067	0.323
Rmeas		0.075	0.412
Number of reflections	46660	194	6105
<I/σ(I)>	11.17	21.29	2.88
Completeness [%]	94.9	89.8	87.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	20 %(w/v) PEG 8000, 0.1 M sodium cacodylate, 0.2M magnesium acetate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K