7BZC

Crystal structure of plant sesterterpene synthase AtTPS18 complexed with farnesyl thiolodiphosphate (FSPP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9798
Spacegroup name	P 21 2 21
Unit cell lengths	64.388, 81.537, 125.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.445 - 2.303
R-factor	0.2043
Rwork	0.202
R-free	0.24340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eat
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.445	2.385
High resolution limit [Å]	2.300	2.303
Number of reflections	38230	2080
<I/σ(I)>	20
Completeness [%]	99.7
Redundancy	10.8
CC(1/2)	0.998	0.708

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	16% (w/v) PEG 8000, 0.04M potassium phosphate (monobasic), 20% (v/v) glycerol