6D5X

Structure of Human ATP:Cobalamin Adenosyltransferase bound to ATP, Adenosylcobalamin, and Triphosphate

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]	298
Detector technology	PIXEL
Collection date	2017-06-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.5498
Spacegroup name	P 31 2 1
Unit cell lengths	112.685, 112.685, 117.939
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.790 - 2.400
R-factor	0.1856
Rwork	0.184
R-free	0.21210
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.790	48.790	2.490
High resolution limit [Å]	2.400	8.960	2.400
Rmerge	0.102	0.045	1.404
Rmeas	0.108	0.048	1.479
Rpim	0.034	0.016	0.461
Total number of observations	339498
Number of reflections	34408	739	3485
<I/σ(I)>	14.5
Completeness [%]	99.8	99.3	98
Redundancy	9.9	9.2	10.1
CC(1/2)	0.998	0.998	0.702

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	19% PEG 3350, 0.2 M MgSO4, 10 % glycerol