5U2K

Crystal structure of Galactoside O-acetyltransferase complex with CoA (H3 space group)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97857
Spacegroup name	H 3
Unit cell lengths	75.424, 75.424, 93.482
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.380
R-factor	0.1275
Rwork	0.126
R-free	0.16890
RMSD bond length	0.013
RMSD bond angle	1.555
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	BALBES
Refinement software	REFMAC (5.8.0151)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.400
High resolution limit [Å]	1.380	3.750	1.380
Rmerge	0.065	0.055	0.487
Rmeas	0.073
Rpim	0.032
Total number of observations	204029
Number of reflections	40705
<I/σ(I)>	5.8
Completeness [%]	99.8	99.6	100
Redundancy	5	4.9	4.7
CC(1/2)		0.997	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	1uL of 15 mg/ml protein were mixed with 1 uL of 25% w/v PEG 3350, 250 mM Sodium/Potassium phosphate, 30% v/v Ethylene glycol and equilibrated against well solution in 15 Well Crystallization Plate (Qiagen). Crystals were soaked in CoA to final concentration of 5 mM.