6QII

Xenon derivatization of the F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	90
Detector technology	PIXEL
Collection date	2018-01-24
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.900
Spacegroup name	F 2 3
Unit cell lengths	236.705, 236.705, 236.705
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.554 - 2.280
R-factor	0.1771
Rwork	0.176
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qgr
RMSD bond length	0.011
RMSD bond angle	1.143
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.420
High resolution limit [Å]	2.280	2.280
Rmeas	0.091
Number of reflections	97909
<I/σ(I)>	23.32
Completeness [%]	99.8
Redundancy	20

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	Tris, MPD, PEG1000