9XAX

Crystal structure of L-threonate 3-dehydrogenase from Paracoccus litorisediminis (NADP+ and tartronate bound form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-06-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	P 1
Unit cell lengths	69.359, 72.552, 140.251
Unit cell angles	85.28, 82.57, 84.52

Refinement procedure

Resolution	48.290 - 2.080
R-factor	0.1703
Rwork	0.169
R-free	0.20070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.750
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	2.120
High resolution limit [Å]	2.080	2.080
Number of reflections	158234	10418
<I/σ(I)>	16.3	9.1
Completeness [%]	97.8
Redundancy	5.8
CC(1/2)	0.859	0.314

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	25% w/v PEG 3350, 0.1M Tris pH 8.5