7ZKK

A216H 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	2021-10-12
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9184
Spacegroup name	P 61 2 2
Unit cell lengths	142.630, 142.630, 291.340
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.122 - 1.970
R-factor	0.1588
Rwork	0.158
R-free	0.19230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7zkj
RMSD bond length	0.011
RMSD bond angle	1.021
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]	45.122	1.920
High resolution limit [Å]	1.860	1.860
Number of reflections	146514	14298
<I/σ(I)>	22.5
Completeness [%]	99.9	98.79
Redundancy	38.2	26.32
CC(1/2)	1.000	0.458

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.85	291.15	To form the drops 0.7 uL of the reservoir solution (0.1 M Na-acetate pH 4.85, 40 g/L PEG 4000, 210 g/L MPD) were mixed with 0.7 uL of 29 g/L CODH/ACS solution in 50 mM Mops pH 7.6, 150 mM NaCl, 1.6 mM Ti(III)-EDTA