6B6Y

Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase, dithionite-reduced then oxygen-exposed (protein batch 2), oxidized C-cluster

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	2016-12-03
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	P 1
Unit cell lengths	65.190, 76.120, 76.110
Unit cell angles	75.84, 64.63, 64.49

Refinement procedure

Resolution	68.582 - 2.600
R-factor	0.1784
Rwork	0.176
R-free	0.22020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b6v
RMSD bond length	0.004
RMSD bond angle	0.856
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.660
High resolution limit [Å]	2.600	2.600
Number of reflections	34461
<I/σ(I)>	10.8
Completeness [%]	94.0
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	150-250 mM magnesium chloride, 16-20% w/v PEG3350