9TP0

CO dehydrogenase 2 variant A559W V610H

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-07-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.91841
Spacegroup name	C 1 2 1
Unit cell lengths	112.000, 74.980, 70.820
Unit cell angles	90.00, 111.15, 90.00

Refinement procedure

Resolution	40.745 - 1.410
Rwork	0.155
R-free	0.18400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	2.231
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0431 (refmacat 0.4.123))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.710	1.500
High resolution limit [Å]	1.410	1.410
Number of reflections	104990	16923
<I/σ(I)>	12.7
Completeness [%]	99.8
Redundancy	6.7
CC(1/2)	0.999	0.421

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	PEG2000MME