6B6V

Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase, as-isolated (protein batch 1), canonical 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	2014-08-02
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	65.650, 111.960, 195.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	97.130 - 2.500
R-factor	0.163
Rwork	0.161
R-free	0.20570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jqk
RMSD bond length	0.004
RMSD bond angle	0.945
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	2.550
High resolution limit [Å]	2.500	2.500
Number of reflections	50328
<I/σ(I)>	9.8
Completeness [%]	99.3
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	1.0-1.1 M ammonium tartrate dibasic, pH 7, 6-9% v/v glycerol