5KCQ

Crystal structure of the aromatic prenyltransferase AtaPT from Aspergillus terreus A8-4 in complex with geranyl 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	96.330, 135.670, 68.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.240 - 2.000
R-factor	0.18776
Rwork	0.186
R-free	0.22356
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kcg
RMSD bond length	0.024
RMSD bond angle	1.911
Data scaling software	SCALA (3.3.21)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0071)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	135.670	43.132	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge		0.067	0.308
Rmeas	0.119
Rpim	0.053
Total number of observations	241609
Number of reflections	55640
<I/σ(I)>	9.9	7.9	2.2
Completeness [%]	91.3	84.6	85.8
Redundancy	4.3	4.5	4.5

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