9VCM

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	192.182, 81.259, 90.126
Unit cell angles	90.00, 102.84, 90.00

Refinement procedure

Resolution	28.990 - 2.400
R-factor	0.178
Rwork	0.176
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.201
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.400	2.400
Number of reflections	59498	2542
<I/σ(I)>	53.06
Completeness [%]	99.8
Redundancy	13.6	12.4
CC(1/2)	0.986	0.984

Crystallization Conditions

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