5T5M

TUNGSTEN-CONTAINING FORMYLMETHANOFURAN DEHYDROGENASE FROM METHANOTHERMOBACTER WOLFEII, TRIGONAL FORM AT 2.5 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	2015-06-11
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.00005
Spacegroup name	P 32 2 1
Unit cell lengths	105.543, 105.543, 340.549
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.218 - 2.500
R-factor	0.1587
Rwork	0.158
R-free	0.18170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB : 5T5I
RMSD bond length	0.011
RMSD bond angle	1.671
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.650	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.090	0.940
Number of reflections	77304
<I/σ(I)>	13.6	2.2
Completeness [%]	100.0	100
Redundancy	7.5	7.8
CC(1/2)	0.998	0.799

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 perfectly anoxic and extremely fresh (crystallization after 3 days of purification) without any freezing step. The optimal protein concentration is 30 mg/ml. Drops are made by mixing 1 ul of protein and 1 ul of precipitant. Crystals appeared usually after 7-10 days anoxically.