7ZX6

I567L 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	112.201, 75.229, 71.410
Unit cell angles	90.00, 111.12, 90.00

Refinement procedure

Resolution	40.939 - 1.447
R-factor	0.1529
Rwork	0.152
R-free	0.17460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3b51
RMSD bond length	0.012
RMSD bond angle	1.210
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]	40.960	1.500
High resolution limit [Å]	1.447	1.447
Rmerge	0.070	0.686
Rmeas	0.083	0.819
Number of reflections	97344	9089
<I/σ(I)>	10.1	1.5
Completeness [%]	98.8
Redundancy	3.32
CC(1/2)	0.998	0.568

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