27WS

PGDH of Acinetobacter baumannii with NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	291
Detector technology	PIXEL
Collection date	2025-12-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	90.988, 101.845, 217.341
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.580 - 2.800
R-factor	0.1928
Rwork	0.189
R-free	0.25640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.047
Refinement software	PHENIX ((1.15.1_3469: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.580	2.854
High resolution limit [Å]	2.800	2.800
Rmerge	0.145	0.884
Number of reflections	50491	4597
<I/σ(I)>	10.3	2.1
Completeness [%]	99.8
Redundancy	5.9
CC(1/2)	0.994	0.733

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	Tris-HCl, NaCl, DTT, Citric acid, BIS-TRIS propane, Polyethylene glycol 3350