8CMW

A225L variant of the CODH/ACS complex of C. hydrogenoformans

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	2021-03-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9184
Spacegroup name	P 61 2 2
Unit cell lengths	141.720, 141.720, 290.263
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.936 - 2.600
Rwork	0.203
R-free	0.26360
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS (20210205)
Data scaling software	XSCALE (20210205)
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.860	2.560
High resolution limit [Å]	2.470	2.470
Rpim	0.146
Number of reflections	62368	6088
<I/σ(I)>	5	0.4
Completeness [%]	99.8	99.71
Redundancy	10.03	10.46
CC(1/2)	0.985	0.218

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	291.15	To form the drops 0.7 uL of the reservoir solution (0.1 M Na-acetate pH 5, 80 g/L PEG 4000, 130 g/L MPD) were mixed with 0.7 uL of 19.6 g/L CODH/ACS solution in 50 mM Mops pH 7.6, 150 mM NaCl, 1.6 mM Ti(III)-EDTA