5A8R

METHYL-COENZYME M REDUCTASE II FROM METHANOTHERMOBACTER MARBURGENSIS AT 2.15 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	77
Detector technology	PIXEL
Collection date	2013-11-30
Detector	DECTRIS PILATUS
Spacegroup name	P 21 21 2
Unit cell lengths	216.660, 246.610, 103.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.361 - 2.150
R-factor	0.1582
Rwork	0.156
R-free	0.19630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pot
RMSD bond length	0.006
RMSD bond angle	1.080
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.310	2.270
High resolution limit [Å]	2.150	2.150
Rmerge	0.160	0.870
Number of reflections	300218
<I/σ(I)>	6.7	1.9
Completeness [%]	99.9	100
Redundancy	4.2	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	281	160 MM POTASSIUM ACETATE, 40% (V/V) PENTAERYTHRITOL PROPOXYLATE 426 (5/4 PO/OH), 100 MM TRIS PH 8.0, AND 3% (W/V) TRIMETHYLAMINE N-OXIDE DEHYDRATE AT 8 DEGREE CELSIUS