7ZKJ

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	2020-10-22
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9184
Spacegroup name	P 61 2 2
Unit cell lengths	141.586, 141.586, 290.124
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.350 - 2.040
R-factor	0.1746
Rwork	0.174
R-free	0.19870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aoa
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.350	2.000
High resolution limit [Å]	1.930	1.930
Number of reflections	129067	12539
<I/σ(I)>	10.2
Completeness [%]	99.8	98.55
Redundancy	19.8
CC(1/2)	0.999	0.316

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 19.6 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.