7RUT

Structure of Human ATP:Cobalamin Adenosyltransferase R190C bound to ATP

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	2019-11-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	77.151, 75.769, 95.844
Unit cell angles	90.00, 91.30, 90.00

Refinement procedure

Resolution	40.494 - 1.500
R-factor	0.1516
Rwork	0.150
R-free	0.18450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2idx
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.900	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.060	1.072
Number of reflections	176322	8753
<I/σ(I)>	12.8
Completeness [%]	99.9
Redundancy	6.6
CC(1/2)	1.000	0.660

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	30% (v/v) 2-propanol, 100 mM Tris pH 8.5, and 30% (w/v) PEG 3350