7BZB

Crystal structure of plant sesterterpene synthase AtTPS18

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	2018-11-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9798
Spacegroup name	P 21 2 21
Unit cell lengths	64.562, 80.925, 125.776
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.462 - 2.148
R-factor	0.2063
Rwork	0.204
R-free	0.25370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eat
RMSD bond length	0.011
RMSD bond angle	1.454
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.230
High resolution limit [Å]	2.148	2.150
Number of reflections	54077	2221
<I/σ(I)>	26.1
Completeness [%]	99.2
Redundancy	10.5
CC(1/2)	0.996	0.751

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