6DC2

Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase C301S variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	64.790, 144.150, 123.690
Unit cell angles	90.00, 98.50, 90.00

Refinement procedure

Resolution	93.272 - 1.992
R-factor	0.1657
Rwork	0.163
R-free	0.21190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b6v
RMSD bond length	0.005
RMSD bond angle	0.765
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.040
High resolution limit [Å]	1.992	1.992
Number of reflections	152978	41565
<I/σ(I)>	6.9
Completeness [%]	97.9
Redundancy	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	200 mM magnesium chloride, 18% PEG3350