8CJA

A225L/F231A 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	2021-06-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9184
Spacegroup name	P 61 2 2
Unit cell lengths	142.219, 142.219, 290.773
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.550 - 2.100
R-factor	0.1783
Rwork	0.178
R-free	0.20920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.075
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.460	1.980
High resolution limit [Å]	1.910	1.910
Rpim	0.071
Number of reflections	134637	13158
<I/σ(I)>	9.4
Completeness [%]	99.9	99.06
Redundancy	19.8	19.15
CC(1/2)	0.998	0.205

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	291.15	1.12 uL of the reservoir solution (0.1 M sodium acetate, 250 g/L MPD, 40 g/L PEG 4000) were mixed with 0.28 uL 23.7 g/L CODH/ACS in 50 mM Mops pH 7.6, 150 mM NaCl, 1.6 mM Ti(III)-EDTA to form the sitting drop. Crystallization was performed in an anoxic glove box.