8YEN

Aldehyde dehydrogenase

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]	125
Detector technology	PIXEL
Collection date	2023-12-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	93.310, 48.620, 112.640
Unit cell angles	90.00, 105.88, 90.00

Refinement procedure

Resolution	29.920 - 2.580
R-factor	0.1909
Rwork	0.189
R-free	0.23430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.162
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.920	2.672
High resolution limit [Å]	2.580	2.580
Number of reflections	30821	3033
<I/σ(I)>	11.83
Completeness [%]	98.9
Redundancy	6.8
CC(1/2)	0.997	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	20% (W/V) PEG 3350, 0.1M Bis-Tris propane pH8.5, 0.2M Sodium fluoride