9WUI

Quinoprotein aldose dehydrogenase in PQQ-bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-03-08
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	73.544, 73.544, 150.236
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.190 - 1.950
R-factor	0.18332
Rwork	0.182
R-free	0.21108
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.190	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.236	1.570
Rmeas	0.241	1.609
Rpim	0.048	0.348
Total number of observations		44579
Number of reflections	30959	2122
<I/σ(I)>	16.9	2.7
Completeness [%]	100.0
Redundancy	25.4	21
CC(1/2)	0.998	0.736

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG600, imidazole buffer, zinc acetate