7SVQ

Crystal Structure of L-galactose dehydrogenase from Spinacia oleracea in complex with NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-23
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97622
Spacegroup name	P 1
Unit cell lengths	50.020, 54.980, 63.241
Unit cell angles	86.82, 69.12, 84.14

Refinement procedure

Resolution	34.000 - 1.750
R-factor	0.1837
Rwork	0.182
R-free	0.21480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7smi
Data reduction software	DIALS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.730	39.730	1.780
High resolution limit [Å]	1.750	9.090	1.750
Rmerge	0.108	0.036	0.595
Rmeas	0.128	0.043	0.709
Rpim	0.069	0.023	0.381
Total number of observations	190355	1654	4645
Number of reflections	55241	441	1416
<I/σ(I)>	7.5	18.9	1.8
Completeness [%]	87.5	97.8	40.8
Redundancy	3.4	3.8	3.3
CC(1/2)	0.958	0.993	0.706

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.2 M Ammonium acetate, 0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3,350