9K9Y

Crystal structure of bicyclogermacrene synthase with FsPP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-09
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	57.410, 131.650, 83.160
Unit cell angles	90.00, 93.32, 90.00

Refinement procedure

Resolution	57.310 - 2.890
R-factor	0.2141
Rwork	0.212
R-free	0.24350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3g4d
RMSD bond angle	11.177
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.310	2.990
High resolution limit [Å]	2.890	2.890
Rmerge		0.145
Rpim	0.145
Number of reflections	53213	53213
<I/σ(I)>	10.4
Completeness [%]	99.5
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	19% (w/v) polyethylene glycol 3350, 0.1 M HEPES pH 7.5, and 0.2 M MgCl2