2GVH

Crystal structure of Acyl-CoA hydrolase (15159470) from AGROBACTERIUM TUMEFACIENS at 2.65 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2005-08-03
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97942
Spacegroup name	P 43
Unit cell lengths	121.209, 121.209, 81.844
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.710 - 2.500
R-factor	0.22663
Rwork	0.226
R-free	0.24400
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.410
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXD
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.700	99.000	2.590
High resolution limit [Å]	2.500	5.390	2.500
Rmerge	0.096	0.081	0.508
Number of reflections	35343	4203	2244
<I/σ(I)>	10.7
Completeness [%]	86.1		55.1
Redundancy	3.5	3.7	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	8	277	10.0% iso-Propanol, 0.1M Imidazole pH 8.0, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K