6D5K

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

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	112.252, 112.252, 117.993
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.607 - 2.850
R-factor	0.1957
Rwork	0.192
R-free	0.23940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2idx
Data reduction software	XDS
Data scaling software	Aimless (3.24)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.610	48.610	2.810
High resolution limit [Å]	2.680	8.900	2.680
Rmerge	0.220	0.053	5.164
Rmeas	0.232	0.056	5.458
Rpim	0.074	0.018	1.752
Total number of observations	242325
Number of reflections	24504	754	3214
<I/σ(I)>	7.6
Completeness [%]	99.9	99.3	99.5
Redundancy	9.9	9.4	9.6
CC(1/2)	0.997	0.998	0.188

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