5IK9

Tobacco 5-epi-aristolochene with farnesyl monophosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	126.440, 126.440, 123.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.546 - 2.230
R-factor	0.1554
Rwork	0.154
R-free	0.18830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5im1
RMSD bond length	0.008
RMSD bond angle	0.970
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]	56.550	2.310
High resolution limit [Å]	2.230	2.230
Rmerge	0.105	0.532
Number of reflections	49350
<I/σ(I)>	14.57	4.29
Completeness [%]	100.0	100
Redundancy	9.5	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	278	100 mM MOPSO, pH 7, 300 mM Mg Acetate, 15% PEG 8000