6B6W

Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase, as-isolated (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	2016-08-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	64.430, 155.230, 66.570
Unit cell angles	90.00, 102.85, 90.00

Refinement procedure

Resolution	64.902 - 1.720
R-factor	0.1521
Rwork	0.151
R-free	0.17570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b6v
RMSD bond length	0.006
RMSD bond angle	1.073
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.750
High resolution limit [Å]	1.720	1.720
Number of reflections	132968
<I/σ(I)>	12
Completeness [%]	98.7
Redundancy	3.9

Crystallization Conditions

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