9M2J

Type I PQQ-dependent alcohol dehydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97954
Spacegroup name	C 1 2 1
Unit cell lengths	110.550, 92.260, 55.940
Unit cell angles	90.00, 107.68, 90.00

Refinement procedure

Resolution	46.170 - 1.820
R-factor	0.16152
Rwork	0.160
R-free	0.19842
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.455
Data reduction software	APEX
Data scaling software	APEX
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.200	1.850
High resolution limit [Å]	1.820	1.820
Number of reflections	46654	2765
<I/σ(I)>	16.1
Completeness [%]	97.6
Redundancy	6.7
CC(1/2)	0.999	0.773

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	PEG400, Imidazole, PEGMME5000