9FPL

Ni,Fe-CODH : Eu(II)-reduced pH 8.0 + CO2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-02
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	0.91841
Spacegroup name	C 1 2 1
Unit cell lengths	112.538, 75.198, 71.311
Unit cell angles	90.00, 111.60, 90.00

Refinement procedure

Resolution	33.190 - 1.310
R-factor	0.1442
Rwork	0.144
R-free	0.16310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.243
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.410	1.360
High resolution limit [Å]	1.310	1.310
Rmerge	0.095
Rmeas	0.103
Number of reflections	127851	12358
<I/σ(I)>	11.8
Completeness [%]	96.1
Redundancy	7.1
CC(1/2)	0.999	0.376

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291.15	0.1M HEPES pH 7.5, PEG 2000MME 14-18%