9X6I

Crystal structure of L-threonate 3-dehydrogenase from Paracoccus litorisediminis (ligand-free form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	P 1
Unit cell lengths	69.763, 73.454, 141.288
Unit cell angles	83.15, 80.76, 83.81

Refinement procedure

Resolution	47.740 - 1.900
R-factor	0.1701
Rwork	0.169
R-free	0.19930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.942
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.290	1.930
High resolution limit [Å]	1.900	1.900
Number of reflections	211315	10418
<I/σ(I)>	19.3
Completeness [%]	97.9
Redundancy	7.27
CC(1/2)	0.999	0.716

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	0.2M Lithium sulfate monohydrate, 0.1M HEPES pH 7.5, 25% w/v Polyethylene glycol 3,350