6WGU

Mycobacterium tuberculosis pduO-type ATP:cobalamin adenosyltransferase

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 EIGER X 9M
Wavelength(s)	1.03
Spacegroup name	I 41 3 2
Unit cell lengths	130.418, 130.418, 130.418
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.740 - 1.650
R-factor	0.1615
Rwork	0.161
R-free	0.17850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g2d
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.860	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.069	1.103
Number of reflections	22879	1013
<I/σ(I)>	31.9
Completeness [%]	99.3
Redundancy	31.9
CC(1/2)	1.000	0.730

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.75 % PEG 400, 1.5 M ammonium sulfate, 100 mM sodium acetate/acetic acid pH 5.5