5KCL

Crystal structure of the aromatic prenyltransferase AtaPT from Aspergillus terreus A8-4 in complex with dimethylallyl S-thiolodiphosphate

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	96.290, 132.970, 68.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	132.970 - 2.100
R-factor	0.19641
Rwork	0.195
R-free	0.23313
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kcg
RMSD bond length	0.017
RMSD bond angle	1.832
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]	132.970	48.145	2.210
High resolution limit [Å]	2.100	6.640	2.100
Rmerge		0.036	0.356
Number of reflections	51286
<I/σ(I)>	12.9	16	2.1
Completeness [%]	98.6	96.8	93
Redundancy	4.9	5.5	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	289	25 mM Bis-Tris, pH 6.0, 0.2 M (NH4)2SO4, 17% PEG 3350, 3.3% DDM