7SMI

Crystal Structure of L-galactose dehydrogenase from Spinacia oleracea

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS SIRUS BEAMLINE MANACA
Synchrotron site	LNLS SIRUS
Beamline	MANACA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-27
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.323630
Spacegroup name	P 1 21 1
Unit cell lengths	51.720, 55.071, 61.796
Unit cell angles	90.00, 112.09, 90.00

Refinement procedure

Resolution	39.690 - 1.400
R-factor	0.1942
Rwork	0.193
R-free	0.20950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ezi
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.690	39.690	1.420
High resolution limit [Å]	1.400	7.670	1.400
Rmerge	0.140	0.082	1.632
Rmeas	0.146	0.086	1.705
Rpim	0.040	0.024	0.485
Total number of observations	804980	4985	36548
Number of reflections	63165	416	3024
<I/σ(I)>	14	32	2.7
Completeness [%]	99.6	99.5	97.6
Redundancy	12.7	12	12.1
CC(1/2)	0.998	0.997	0.643

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