7Y47

Crystal structure of bifunctional miltiradiene synthase from selaginella moellendorffii that complexed with GGPP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	55.859, 83.971, 192.535
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.310 - 2.500
R-factor	0.1896
Rwork	0.186
R-free	0.23840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7wat
RMSD bond length	0.009
RMSD bond angle	0.998
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.500	2.500
Rpim	0.071
Number of reflections	31123	1596
<I/σ(I)>	11.7
Completeness [%]	96.4	95.1
Redundancy	11.4
CC(1/2)		0.717

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.1 M MES (pH 6.5) 22% (v/v) PEG2000 MME