9QM5

Krypton-pressurized Methyl-Coenzyme M reductase of an ANME-2c isolated from a microbial enrichment

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	2022-07-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.86100
Spacegroup name	P 21 21 21
Unit cell lengths	153.478, 153.673, 212.885
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.300 - 1.800
R-factor	0.1306
Rwork	0.129
R-free	0.15520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.170
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.400	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.127	1.623
Rmeas	0.137	1.748
Rpim	0.051	0.646
Number of reflections	461593	22707
<I/σ(I)>	14.1	1.8
Completeness [%]	100.0	100
Redundancy	13.8	14.2
CC(1/2)	0.999	0.768

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	Crystallization was carried out on a Clover junior plate using a crystallization solution containing 30% v/v polyethylene glycol 400, 100 mM HEPES pH 7.5, and 200 mM magnesium chloride. Crystals were pressurized at 214 bars of krypton for 2 min before flash freezing in liquid nitrogen.