1RY2

Crystal structure of yeast acetyl-coenzyme A synthetase in complex with AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2003-08-21
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9791
Spacegroup name	P 3
Unit cell lengths	107.130, 107.130, 54.790
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 * - 2.300
R-factor	0.1991
Rwork	0.199
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pg4
RMSD bond length	0.006
RMSD bond angle	22.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	GLRF
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.440
High resolution limit [Å]	2.300	2.300
Rmerge	0.066 *	0.240 *
Total number of observations	85039 *
Number of reflections	27899
Completeness [%]	89.0 *	79 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	4 *	succinic acid, tris, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 271K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	succinic acid	0.7 (M)
2	1	reservoir	Tris	0.1 (M)	pH7.5
3	1	drop	protein	10 (mg/ml)
4	1	drop	ATP	5 (mM)