8CJC

F515A 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	2021-12-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9184
Spacegroup name	P 61 2 2
Unit cell lengths	142.130, 142.130, 290.720
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.000 - 2.220
R-factor	0.1588
Rwork	0.158
R-free	0.20210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.012
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.450	2.060
High resolution limit [Å]	1.990	1.990
Rpim	0.069
Number of reflections	119052	11631
<I/σ(I)>	12.3	0.8
Completeness [%]	99.9	99.19
Redundancy	39.8	40.22
CC(1/2)	0.998	0.397

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.85	291.15	0.7 uL of the reservoir solution (0.1 M sodium acetate, 210 g/L MPD, 60 g/L PEG 4000) were mixed with 0.7 uL 21.2 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.