7RUU

Structure of Human ATP:Cobalamin Adenosyltransferase R190C 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	121.807, 121.807, 171.629
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.159 - 1.850
R-factor	0.1785
Rwork	0.177
R-free	0.20200
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]	39.750	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.099	0.110
Number of reflections	80886	4590
<I/σ(I)>	12.1
Completeness [%]	99.8
Redundancy	10.6
CC(1/2)	0.990	0.690

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30% (v/v) 2-methyl-2,4-pentanediol, 100 mM sodium acetate pH 4.6, 20 mM calcium chloride