1KRR

Galactoside Acetyltransferase in Complex with Acetyl-Coenzyme A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1998-12-02
Detector	SIEMENS HI-STAR
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	65.700, 182.500, 121.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.000 - 2.500
R-factor	0.193 *
Rwork	0.193
R-free	0.24800
Structure solution method	MIR
RMSD bond length	0.011
RMSD bond angle	27.000 *
Data reduction software	X-GEN
Data scaling software	XDS
Phasing software	SHARP
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.000	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.089	0.298
Total number of observations	93176 *
Number of reflections	23094
Completeness [%]	90.1	68.8
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	298	Wang, X.G., (1999) Acta Crystallogr., D55, 1955. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	14 (mg/ml)
2	1	drop	Tris-HCl	25 (mM)	pH7.8
3	1	drop	beta-mercaptoethanol	1 (mM)
4	1	drop	acetyl-CoA	10 (mM)
5	1	reservoir	ammonium sulfate	2.3 (M)
6	1	reservoir	HEPES	0.1 (M)	pH7.4
7	1	reservoir	L(+)-tartaric acid	0.17 (M)