9VCN

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	2023-04-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	C 1 2 1
Unit cell lengths	190.854, 82.354, 88.277
Unit cell angles	90.00, 100.04, 90.00

Refinement procedure

Resolution	46.980 - 2.390
R-factor	0.1959
Rwork	0.194
R-free	0.25020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.133
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.980	2.475
High resolution limit [Å]	2.390	2.390
Number of reflections	52979	5269
<I/σ(I)>	16.23
Completeness [%]	92.8
Redundancy	1.9
CC(1/2)	0.999	0.813

Crystallization Conditions

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