5KCY

Crystal structure of the aromatic prenyltransferase AtaPT from Aspergillus terreus A8-4 in complex with geranyl S-thiolodiphosphate and (+)-butyrolactone II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97907
Spacegroup name	P 21 21 2
Unit cell lengths	96.950, 134.910, 68.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.371 - 2.300
R-factor	0.20604
Rwork	0.204
R-free	0.24560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.843
Data scaling software	SCALA (3.3.21)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	134.910	55.371	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge		0.053	0.288
Rmeas	0.096
Rpim	0.047
Total number of observations	145923
Number of reflections	39454
<I/σ(I)>	10	10.1	2.6
Completeness [%]	97.0	94.1	93.2
Redundancy	3.7	3.9	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	289	25 mM Bis-Tris, 0.2 M (NH4)2SO4, 17% PEG3350, 3.3% DDM