8XWK

Crystal structure of L-2-keto-3-deoxyfuconate 4-dehydrogenase from Herbaspillum huttiense (apo form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	293
Detector technology	PIXEL
Collection date	2023-05-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	62.761, 112.364, 129.111
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.000 - 1.270
R-factor	0.1798
Rwork	0.179
R-free	0.20050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.005
RMSD bond angle	0.836
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.390	1.290
High resolution limit [Å]	1.270	1.270
Number of reflections	239340	23572
<I/σ(I)>	17.6
Completeness [%]	99.8
Redundancy	19.45
CC(1/2)	0.999	0.821

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	0.2 M Lithium sulfate monohydrate, 0.1 M TRIS-HCl pH8.5, 25% PEG4000