9KOK

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	2023-06-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.00003
Spacegroup name	P 32 2 1
Unit cell lengths	94.066, 94.066, 238.496
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.870 - 2.400
R-factor	0.1345
Rwork	0.132
R-free	0.18890
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.066
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	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.060	0.110
Number of reflections	48623	2378
<I/σ(I)>	38.85
Completeness [%]	99.7
Redundancy	11.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	0.05M Magnesium chloride, 0.1M HEPES pH 7.5, and 30% (v/v) PEG MME 2000