6ZLF

Aerobic crystal structure of F420H2-Oxidase from Methanothermococcus thermolithotrophicus at 1.8A resolution under 125 bars of krypton

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.873
Spacegroup name	P 1 21 1
Unit cell lengths	75.025, 162.553, 134.376
Unit cell angles	90.00, 93.75, 90.00

Refinement procedure

Resolution	48.400 - 1.800
Rwork	0.182
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6frm
RMSD bond length	0.012
RMSD bond angle	1.224
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.400	1.860
High resolution limit [Å]	1.800	1.800
Rpim	0.035	0.600
Number of reflections	294021	29192
<I/σ(I)>	12.84	1.07
Completeness [%]	99.3
Redundancy	6.9
CC(1/2)	0.990	0.465

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM Tris-HCl (pH 8.5) containing 100 mM MgCl2 and 3.3 to 3.7 M hexanediol