7ZX5

I567T Mutant of Recombinant CODH-II

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	2016-03-03
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.91841
Spacegroup name	C 1 2 1
Unit cell lengths	112.185, 75.424, 71.236
Unit cell angles	90.00, 111.03, 90.00

Refinement procedure

Resolution	35.417 - 1.544
R-factor	0.1773
Rwork	0.176
R-free	0.21280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3b51
RMSD bond length	0.018
RMSD bond angle	1.473
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.970	1.600
High resolution limit [Å]	1.540	1.540
Rmerge	0.088	0.563
Rmeas	0.105	0.669
Number of reflections	79508	7556
<I/σ(I)>	9.2	1.7
Completeness [%]	97.6
Redundancy	3.27
CC(1/2)	0.996	0.762

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291.15	0.1M Bis-Tris pH 6.5, PEG 3350 10-18%, Ammonium sulphate 0.18M