5T61

TUNGSTEN-CONTAINING FORMYLMETHANOFURAN DEHYDROGENASE FROM METHANOTHERMOBACTER WOLFEII, TRICLINIC FORM AT 2.55 A

This is a non-PDB format compatible entry.

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	2015-07-04
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.00006
Spacegroup name	P 1
Unit cell lengths	174.183, 173.681, 183.162
Unit cell angles	89.98, 95.42, 92.14

Refinement procedure

Resolution	48.967 - 2.550
R-factor	0.2307
Rwork	0.229
R-free	0.25930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID : 5T5I
RMSD bond length	0.008
RMSD bond angle	1.594
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.080	2.690
High resolution limit [Å]	2.550	2.550
Rmerge	0.140	0.698
Number of reflections	673754
<I/σ(I)>	5.5	1.5
Completeness [%]	96.8	97
Redundancy	2.6	2.4
CC(1/2)	0.979	0.465

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 about 20-35 mg/ml. Drops are made by mixing 1 ul protein and 1 ul precipitant. Crystals appeared after 3-5 days.