7XRA

Drimenyl diphosphate synthase D303A from Streptomyces showdoensis in complex with farnesyl diphosphate (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	51.240, 113.620, 180.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.420 - 1.950
R-factor	0.1794
Rwork	0.177
R-free	0.22210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7xqz
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]	60.020	60.020	2.000
High resolution limit [Å]	1.950	8.940	1.950
Rmerge	0.111	0.034	0.558
Rmeas	0.132	0.042	0.665
Rpim	0.070	0.024	0.357
Total number of observations	129439	1057	8898
Number of reflections	38605	420	2675
<I/σ(I)>	7.7	14.4	2.2
Completeness [%]	99.5	93.4	99.9
Redundancy	3.4	2.5	3.3
CC(1/2)	0.993	0.998	0.762

Crystallization Conditions

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