5T5I

TUNGSTEN-CONTAINING FORMYLMETHANOFURAN DEHYDROGENASE FROM METHANOTHERMOBACTER WOLFEII, ORTHORHOMBIC FORM AT 1.9 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-03-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.21372
Spacegroup name	P 21 21 21
Unit cell lengths	121.644, 174.576, 205.425
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.490 - 1.900
R-factor	0.1532
Rwork	0.152
R-free	0.17210
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.220
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	SHELXDE
Refinement software	BUSTER (2.10.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.260	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.091	0.667
Number of reflections	339028
<I/σ(I)>	9.2	1.6
Completeness [%]	99.2	96.9
Redundancy	3.6	3.1
CC(1/2)	0.997	0.726

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	100 mM Tricine/NaOH, pH 8.0, 30% (v/v) pentaerythritol propoxylate 426 (5/4 PO/OH), and 400 mM KCl. The crystallized sample has to be anoxic and extremely fresh (crystallized after 3 days of purification) without any freezing step. The optimal protein concentration is 30 mg/mL. Drops are made by mixing 1 uL protein and 1 uL precipitant. Crystals appeared usually after 7-10 days.