5KH0

Crystal Structure of HydF from thermosipho melanesiensis in complex with a [4Fe-4S] cluster

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	2015-11-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97857
Spacegroup name	P 1 21 1
Unit cell lengths	72.010, 173.480, 89.320
Unit cell angles	90.00, 110.01, 90.00

Refinement procedure

Resolution	47.620 - 2.800
R-factor	0.234
Rwork	0.233
R-free	0.26200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.140
Data reduction software	XDS (November 3, 2014)
Data scaling software	XDS (November 3, 2014)
Phasing software	PHASER (2.6.0)
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.620
High resolution limit [Å]	2.800	2.800
Rmeas	0.067	0.806
Number of reflections	48183
<I/σ(I)>	11.86
Completeness [%]	95.2
Redundancy	2.9
CC(1/2)		0.549

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7.5	293	Hepes 25 mM pH 7.5, PEG 8K 1.5% w/v Anaerobic glovebox <1 ppm O2