9VCO

NAD-DEPENDENT DEHYDROGENASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	C 1 2 1
Unit cell lengths	191.651, 81.901, 88.649
Unit cell angles	90.00, 100.57, 90.00

Refinement procedure

Resolution	42.640 - 2.290
R-factor	0.1953
Rwork	0.194
R-free	0.23730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.824
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	94.200	2.420
High resolution limit [Å]	2.290	2.290
Number of reflections	73845	8824
<I/σ(I)>	12.1
Completeness [%]	99.9
Redundancy	5.9
CC(1/2)	0.997	0.856

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	PEG3350,LI2SO4