3SDV

Structure of a three-domain sesquiterpene synthase: a prospective target for advanced biofuels production

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	2010-09-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	156.771, 55.002, 127.290
Unit cell angles	90.00, 119.30, 90.00

Refinement procedure

Resolution	42.355 - 2.200
R-factor	0.1783
Rwork	0.177
R-free	0.21230
Structure solution method	MRSAD
RMSD bond length	0.012
RMSD bond angle	0.850
Refinement software	PHENIX ((phenix.refine: dev_778))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Number of reflections	46965
<I/σ(I)>	16.6	1.68
Completeness [%]	95.8	73.1
Redundancy		4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	100 MM TRIS, 100 MM NACL, AND 23% (W/V) PEG 3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K