5IVG

Crystal structure of Aspergillus terreus aristolochene synthase N299A complexed with farnesyl thiolodiphosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	P 31 2 1
Unit cell lengths	123.407, 123.407, 203.455
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.307 - 1.950
R-factor	0.1627
Rwork	0.162
R-free	0.19940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kux
RMSD bond length	0.015
RMSD bond angle	1.500
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (dev_1839)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.950
Number of reflections	130703
<I/σ(I)>	31.4
Completeness [%]	100.0
Redundancy	22.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	200 mM magnesium acetate, 20% PEG 3350.