8W9S

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	2023-03-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	C 1 2 1
Unit cell lengths	191.539, 82.110, 88.555
Unit cell angles	90.00, 99.64, 90.00

Refinement procedure

Resolution	44.780 - 2.090
R-factor	0.1769
Rwork	0.176
R-free	0.21610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.960
Data reduction software	HKL-3000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	87.320	2.200
High resolution limit [Å]	2.090	2.090
Rmerge	0.033
Number of reflections	77192	77192
<I/σ(I)>	8.6
Completeness [%]	96.3
Redundancy	4
CC(1/2)	0.999	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	PEG3350, 0.2M lithium sulfate