6VWZ

Crystal structure of air-exposed C45G/T50C D. vulgaris carbon monoxide dehydrogenase (20 minute 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)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	65.730, 112.000, 195.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.629 - 2.488
R-factor	0.1823
Rwork	0.181
R-free	0.21120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b6v
RMSD bond length	0.005
RMSD bond angle	1.146
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]	2.488	2.488
Number of reflections	50165	3647
<I/σ(I)>	6.8
Completeness [%]	99.5
Redundancy	4.7
CC(1/2)	0.983	0.666

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