6WGS

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03
Spacegroup name	P 3 2 1
Unit cell lengths	87.157, 87.157, 46.819
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.579 - 1.500
R-factor	0.1557
Rwork	0.155
R-free	0.17210
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]	46.820	1.530
High resolution limit [Å]	1.500	1.500
Rmerge		1.292
Number of reflections	33103	1609
<I/σ(I)>	16.1
Completeness [%]	100.0
Redundancy	9.9
CC(1/2)	0.999	0.764

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	400 mM sodium phosphate monobasic/1600 mM potassium phosphate dibasic, 100 mM imidazole/HCl pH 8, and 200 mM sodium chloride