9QIT

Crystal structure of a D-lactate dehydrogenase in complex with D-lactate from Porcellio dilatatus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979180
Spacegroup name	P 1 21 1
Unit cell lengths	127.225, 109.644, 143.437
Unit cell angles	90.00, 98.26, 90.00

Refinement procedure

Resolution	88.110 - 3.040
R-factor	0.2095
Rwork	0.207
R-free	0.26330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.464
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]	88.110	3.290
High resolution limit [Å]	3.040	3.040
Number of reflections	48050	2402
<I/σ(I)>	3.8
Completeness [%]	91.6
Redundancy	3.2
CC(1/2)	0.985	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M sodium formate, 0.1 M sodium phosphate pH 6.2, 20% (v/v) PEG Smear Medium and 10% (v/v) glycerol