7O1P

[FeFe]-hydrogenase maturase HydE from T. Maritima (C-ter stretch absent)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-09-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	52.450, 79.160, 85.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.580
R-factor	0.1818
Rwork	0.179
R-free	0.24040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ciw
RMSD bond length	0.003
RMSD bond angle	1.101
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.740
High resolution limit [Å]	2.580	2.580
Number of reflections	11701	1501
<I/σ(I)>	17.52
Completeness [%]	99.5
Redundancy	3.8
CC(1/2)	0.999	0.704

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	PEG; LiSO4; Tris pH 7.4