9JVE

Crysral structure of 2-keto-3-deoxypentonate 4-dehydrogenase from Herbaspirillum 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	2022-10-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000000
Spacegroup name	C 1 2 1
Unit cell lengths	76.942, 84.948, 69.722
Unit cell angles	90.00, 103.36, 90.00

Refinement procedure

Resolution	47.490 - 2.270
R-factor	0.22
Rwork	0.219
R-free	0.23410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.021
RMSD bond angle	2.122
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]	47.490	1.890
High resolution limit [Å]	1.850	1.850
Number of reflections	36037	1931
<I/σ(I)>	6.5
Completeness [%]	97.3
Redundancy	11.9
CC(1/2)	0.974	0.383

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	0.2 M Magnesiumchloride hexahydrate,0.1 M HEPES pH7.5,25% Polyethylene glycol