5IK0

Tobacco 5-epi-aristolochene synthase with FPP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	127.660, 127.660, 124.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.907 - 2.200
R-factor	0.1692
Rwork	0.167
R-free	0.21690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.083
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.910	2.279
High resolution limit [Å]	2.200	2.200
Rmerge	0.083	0.580
Number of reflections	31504
<I/σ(I)>	7.25	1.28
Completeness [%]	59.7	38.34
Redundancy	2.8	1.6
CC(1/2)	0.992	0.181

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	278	100 mM MOPSO, pH 7, 100 mM Mg Acetate, 10% PEG 8000