6EHQ

E. coli Hydrogenase-2 (as isolated form).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	99.064, 100.090, 168.135
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.000 - 2.200
R-factor	0.16365
Rwork	0.162
R-free	0.18951
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5a4m
RMSD bond length	0.013
RMSD bond angle	1.526
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.190	0.980
Rpim	0.120	0.630
Number of reflections	93703	4242
<I/σ(I)>	6.4	1.7
Completeness [%]	95.8	95.5
Redundancy	6.5	6.2
CC(1/2)	0.978	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	100 mM Bis-tris pH 5.5 200 mM MgCl2 18-22% PEG 3350