9KOI

Crystal structure of ExaC, an NAD+-dependent aldehyde dehydrogenase, from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-25
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.00003
Spacegroup name	P 32 2 1
Unit cell lengths	94.533, 94.533, 235.065
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.2742
Rwork	0.272
R-free	0.32500
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.729
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.075	0.220
Number of reflections	48437	3069
<I/σ(I)>	0.35
Completeness [%]	100.0	100
Redundancy	12.9	12.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	0.2M potassium formate pH 8.0, 0.1M Bis-Tris pH 7.3, and 20% (v/v) PEG 3350