9V3U

Crystal structure of the aromatic prenyltransferase AtaPT(M7) mutant from Aspergillus terreus in complex with GSPP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CAMD BEAMLINE GCPCC
Synchrotron site	CAMD
Beamline	GCPCC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-11-27
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.9786
Spacegroup name	P 2 21 21
Unit cell lengths	69.020, 96.450, 132.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.225 - 2.200
R-factor	0.195766349658
Rwork	0.194
R-free	0.23377
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.739
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.926	2.270
High resolution limit [Å]	2.200	2.200
Number of reflections	45788	31866
<I/σ(I)>	3.3
Completeness [%]	99.8
Redundancy	13.3
CC(1/2)	0.781	0.781

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	100 mM Bis-Tris Ph 6.5,200 mM (NH4)2SO4, 25% peg 3350