7XRU

Drimenyl diphosphate synthase D303E from Streptomyces showdoensis in complex with 2-fluorofarnesyl diphosphate (2F-FPP) and Mg2+

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	2022-01-15
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	C 2 2 21
Unit cell lengths	51.350, 113.780, 179.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.510 - 2.500
R-factor	0.1909
Rwork	0.186
R-free	0.23140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7xr7
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	54.240	54.240	2.600
High resolution limit [Å]	2.500	9.010	2.500
Rmerge	0.090	0.044	0.291
Rmeas	0.107	0.052	0.345
Rpim	0.056	0.027	0.182
Total number of observations	61183	1362	6671
Number of reflections	18064	419	2056
<I/σ(I)>	9.6	17.8	3.8
Completeness [%]	97.1	93.8	98.7
Redundancy	3.4	3.3	3.2
CC(1/2)	0.984	0.996	0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289.15	HEPES, NaCl