6VX1

Crystal structure of air-exposed C45G/T50C D. vulgaris carbon monoxide dehydrogenase (2 day air exposure)

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)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	65.610, 112.120, 194.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.450 - 2.780
R-factor	0.1802
Rwork	0.179
R-free	0.21390
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	2.840
High resolution limit [Å]	2.780	2.780
Number of reflections	36890	2707
<I/σ(I)>	11.6
Completeness [%]	99.8
Redundancy	6.2
CC(1/2)	0.994	0.677

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	1.0-1.1 M ammonium tartrate dibasic, pH 7, 6-9% v/v glycerol