6ONM

Crystal Structure of (+)-Limonene Synthase Complexed with 8,9-Difluorolinalyl Diphosphate

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	2017-11-20
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	85.810, 85.810, 217.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.957 - 2.700
R-factor	0.2076
Rwork	0.206
R-free	0.24060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uv0
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.13rc1_2954)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.142	1.770
Number of reflections	23172	3302
<I/σ(I)>	15.9	2.1
Completeness [%]	99.8	100
Redundancy	26.7	27.8
CC(1/2)	0.999	0.822

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	296	16% PEG8000, 100 mM Tris pH 7.5, 350 mM sodium tartrate