5N22

Structure of xEco2 acetyltransferase domain bound to K106-CoA conjugate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	93
Detector technology	PIXEL
Collection date	2016-04-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97626
Spacegroup name	P 1 21 1
Unit cell lengths	107.236, 57.768, 70.954
Unit cell angles	90.00, 89.97, 90.00

Refinement procedure

Resolution	59.160 - 1.990
R-factor	0.2129
Rwork	0.211
R-free	0.25310
RMSD bond length	0.013
RMSD bond angle	1.371
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((dev_2664: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.160	2.060
High resolution limit [Å]	1.990	1.990
Rmerge	0.065	0.765
Number of reflections	59859
<I/σ(I)>	8.25	1.65
Completeness [%]	98.0	100
Redundancy	3.3	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.18 M MgCl2, 10% glycerol, 27% 2-propanol and 0.09 M HEPES pH 7.5