7O25

Complex-B bound [FeFe]-hydrogenase maturase HydE from T. maritima (reaction triggered in the crystal)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9805
Spacegroup name	P 21 21 2
Unit cell lengths	63.410, 81.700, 70.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.150 - 1.340
R-factor	0.1459
Rwork	0.145
R-free	0.16600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ciw
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]	47.150	1.420
High resolution limit [Å]	1.340	1.340
Number of reflections	159228	12982
<I/σ(I)>	14.8
Completeness [%]	99.6
Redundancy	14.4
CC(1/2)	0.999	0.729

Crystallization Conditions

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