5IN8

Crystal structure of Q151H Aspergillus terreus aristolochene synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-18
Detector	RAYONIX MX-325
Wavelength(s)	0.97946
Spacegroup name	P 31 2 1
Unit cell lengths	122.852, 122.852, 202.523
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.094 - 2.350
R-factor	0.2115
Rwork	0.211
R-free	0.24280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kux
RMSD bond length	0.002
RMSD bond angle	0.530
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]	2.350
Number of reflections	73952
<I/σ(I)>	17.7
Completeness [%]	99.9
Redundancy	9.3

Crystallization Conditions

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