9M2C

Type I PQQ-dependent alcohol dehydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-18
Detector	Bruker PHOTON II
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	106.850, 94.301, 56.587
Unit cell angles	90.00, 108.20, 90.00

Refinement procedure

Resolution	44.520 - 2.100
R-factor	0.17257
Rwork	0.170
R-free	0.21714
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.364
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]	44.530	2.160
High resolution limit [Å]	2.100	2.100
Number of reflections	31023	2542
<I/σ(I)>	9.1
Completeness [%]	99.8
Redundancy	2.6
CC(1/2)	0.934	0.450

Crystallization Conditions

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