9K9X

Crystal structure of bicyclogermacrene synthase

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	2024-03-06
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9791
Spacegroup name	I 2 2 2
Unit cell lengths	110.551, 111.703, 238.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.630 - 2.030
R-factor	0.1845
Rwork	0.184
R-free	0.20730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3g4d
RMSD bond angle	7.149
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]	30.630	2.100
High resolution limit [Å]	2.030	2.030
Number of reflections	92661	92662
<I/σ(I)>	15.4
Completeness [%]	94.8
Redundancy	13
CC(1/2)	0.990	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.4-0.48 M Sodium phosphate monobasic monohydrate and 0.68-0.76M Potassium phosphate dibasic