6WGV

Mycobacterium tuberculosis pduO-type ATP:cobalamin adenosyltransferase bound to adenosylcobalamin and PPPi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-20
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.03
Spacegroup name	P 3 2 1
Unit cell lengths	87.631, 87.631, 46.554
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.683 - 2.151
R-factor	0.1898
Rwork	0.188
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g2d
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.683	2.220
High resolution limit [Å]	2.150	2.150
Rmerge	0.176
Number of reflections	11342	906
<I/σ(I)>	6.6	2.2
Completeness [%]	99.1
Redundancy	6.3
CC(1/2)	0.972	0.712

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	26% PEG 3350, 0.1M bisTris pH 6.5, 5% glycerol