5KCG

Crystal structure of the aromatic prenyltransferase AtaPT (apo state) from Aspergillus terreus A8-4

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	2013-06-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97
Spacegroup name	P 21 21 2
Unit cell lengths	96.200, 135.810, 69.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.580 - 1.900
R-factor	0.19384
Rwork	0.192
R-free	0.23576
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3i4z
RMSD bond length	0.019
RMSD bond angle	1.828
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]	135.810	45.340	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.041	0.416
Rmeas	0.098
Rpim	0.043
Total number of observations	354138
Number of reflections	71707
<I/σ(I)>	11.1	16.1	1.7
Completeness [%]	99.1	79.4	100
Redundancy	4.9	4.7	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	289	0.1 M Bis-Tris pH 6.0, 0.2 M (NH4)2SO4, 17% PEG 3350, 3.3% DDM