5A8W

METHYL-COENZYME M REDUCTASE II FROM METHANOTHERMOBACTER WOLFEII AT 1. 8 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	77
Detector technology	PIXEL
Collection date	2014-12-11
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 1
Unit cell lengths	110.391, 102.185, 118.739
Unit cell angles	89.20, 93.97, 90.98

Refinement procedure

Resolution	48.658 - 1.800
R-factor	0.1671
Rwork	0.165
R-free	0.20070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pot
RMSD bond length	0.016
RMSD bond angle	1.529
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.800	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.120	0.550
Number of reflections	464655
<I/σ(I)>	6.5	2.1
Completeness [%]	96.9	95.1
Redundancy	2.7	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		13% (W/V) PEG 4000, 100 MM SODIUM ACETATE PH 4.1, AND 200 MM AMMONIUM ACETATE AT ROOM TEMPERATURE. THICK SQUARE-SHAPED CRYSTALS WERE IMMERSED IN A SOLUTION CONTAINING 30% (V/V) ETHYLENE GLYCOL, 14% (W/V) PEG 4000, 100 MM SODIUM ACETATE PH 4.1, AND 200 MM AMMONIUM ACETATE AS A CRYOPROTECTANT