6VWY

Crystal structure of C45G/T50C D. vulgaris carbon monoxide dehydrogenase (anaerobic)

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	2016-04-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	65.560, 147.360, 66.050
Unit cell angles	90.00, 110.78, 90.00

Refinement procedure

Resolution	73.680 - 1.830
R-factor	0.1487
Rwork	0.147
R-free	0.17760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b6v
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.870
High resolution limit [Å]	1.830	1.830
Number of reflections	102654	7601
<I/σ(I)>	13.8
Completeness [%]	99.7
Redundancy	6.8
CC(1/2)	0.999	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	150-250 mM magnesium chloride, 16-20% w/v PEG3350