8USU

Crystal Structure of L-galactose 1-dehydrogenase of Myrciaria dubia in complex with NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS SIRIUS BEAMLINE MANACA
Synchrotron site	LNLS SIRIUS
Beamline	MANACA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-28
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97718
Spacegroup name	C 1 2 1
Unit cell lengths	124.899, 56.460, 107.392
Unit cell angles	90.00, 109.89, 90.00

Refinement procedure

Resolution	48.400 - 2.970
R-factor	0.2312
Rwork	0.231
R-free	0.24290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.506
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.400	48.400	3.150
High resolution limit [Å]	2.970	8.770	2.970
Rmerge	0.519	0.125	1.971
Rmeas	0.569	0.136	2.154
Number of reflections	14789	610	2323
<I/σ(I)>	4.6
Completeness [%]	99.5
Redundancy	6.29
CC(1/2)	0.959	0.988	0.433

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.2	293	0.5 M Ammonium sulfate, 1.0 M lithium sulfate, 0.1 M sodium citrate pH 5.2