7XQZ

Drimenyl diphosphate synthase D303A 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	51.530, 114.020, 180.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.390 - 2.000
R-factor	0.1771
Rwork	0.175
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7xq4
Data reduction software	iMOSFLM
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.960	46.960	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.105	0.022	0.543
Rmeas	0.125	0.028	0.650
Rpim	0.066	0.017	0.353
Total number of observations	121780	1028	8357
Number of reflections	35627	434	2529
<I/σ(I)>	9.2	16.8	2.5
Completeness [%]	98.1	95.9	96.1
Redundancy	3.4	2.4	3.3
CC(1/2)	0.993	0.999	0.756

Crystallization Conditions

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