7RUV

Structure of Human ATP:Cobalamin Adenosyltransferase E193K bound to adenosylcobalamin

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	2020-08-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.978
Spacegroup name	H 3
Unit cell lengths	121.181, 121.181, 169.770
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.999 - 2.100
R-factor	0.1865
Rwork	0.185
R-free	0.21740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2idx
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.000	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.012	0.780
Number of reflections	52113	3363
<I/σ(I)>	8
Completeness [%]	96.0
Redundancy	6.2
CC(1/2)	0.990	0.550

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	50 mM HEPES pH 7.5, 150 mM KCl, 2 mM MgCl2, 2 mM TCEP and 5% glycerol