9G7J

Crystal structure of the tungsten-dependent aldehyde:ferredoxin oxidoreductase from Clostridium autoethanogenum.

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.21434
Spacegroup name	P 21 2 21
Unit cell lengths	64.595, 100.436, 176.595
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.790 - 1.590
R-factor	0.1624
Rwork	0.162
R-free	0.17790
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.467
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	CRANK2
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.440	1.736
High resolution limit [Å]	1.590	1.595
Rmerge	0.173	1.725
Rmeas	0.187	1.882
Rpim	0.072	0.746
Number of reflections	116033	5802
<I/σ(I)>	8.4	1.6
Completeness [%]	95.1	63.1
Redundancy	12.7	12.2
CC(1/2)	0.997	0.641

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	Crystals were obtained by initial screening at 20 degrees Celsius using the sitting drop method on a 96-Well MRC 2-Drop Crystallization Plates in polystyrene (SWISSCI). The crystallization reservoir contained 90 ul of mother liquor, the crystallization drop contained a mixture of 0.55 ul protein at 8.6 mg.ml-1 and 0.55 ul precipitant. The protein was in 25 mM Tris/HCl buffer pH 7.6, 10 % (v/v) glycerol, and 2 mM dithiothreitol. The crystal was obtained in a Coy tent under an N2/H2 atmosphere (96:4 %). The crystallization reservoir contained 25% (w/v) PEG 3350, 100 mM BIS-Tris pH 6.5, 200 mM Magnesium chloride hexahydrate. The crystal was soaked in the crystallization solution supplemented with 25 % (v/v) glycerol before freezing in liquid nitrogen.