8ZCX

Crystal Structure of a novel Aldehyde Dehydrogenase from Klebsiella pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	102.669, 146.744, 149.528
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.440
R-factor	0.22354
Rwork	0.222
R-free	0.25205
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.997
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.500
High resolution limit [Å]	2.440	2.440
Number of reflections	83594	5452
<I/σ(I)>	12.8	1.5
Completeness [%]	98.7
Redundancy	17.5	9
CC(1/2)	0.999	0.596

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	0.1M MMT, pH6.0, 25% PEG1500, 10% glycerol