8Y11

Crystal structure of L-2-keto-3-deoxyfuconate 4-dehydrogenase bound to NAD(H) and sulfate ion

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	2022-10-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	84.337, 103.894, 133.058
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.390 - 1.770
R-factor	0.1834
Rwork	0.182
R-free	0.21080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.016
RMSD bond angle	1.535
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	1.833
High resolution limit [Å]	1.770	1.770
Number of reflections	220052	11338
<I/σ(I)>	16
Completeness [%]	100.0
Redundancy	19.84
CC(1/2)	0.995	0.584

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