5HSS

Linalool dehydratase/isomerase: Ldi with monoterpene substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-17
Detector	PSI PILATUS 6M
Wavelength(s)	0.97928
Spacegroup name	P 21 21 21
Unit cell lengths	99.270, 106.290, 221.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.080 - 2.500
R-factor	0.1807
Rwork	0.178
R-free	0.22300
Structure solution method	SIRAS
RMSD bond length	0.008
RMSD bond angle	0.927
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHARP
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.600
High resolution limit [Å]	2.500	2.500
Number of reflections	957382
<I/σ(I)>	13.7	2.4
Completeness [%]	99.8	99.2
Redundancy	11.7	11.7
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	PEG 550 MME, bicine