29MK

Sesterterpene Synthase from Streptomyces violarus (Sesterviolene Synthase, SvSS, apo)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9762
Spacegroup name	P 1
Unit cell lengths	48.900, 54.470, 74.030
Unit cell angles	92.36, 102.84, 118.47

Refinement procedure

Resolution	30.000 - 1.400
R-factor	0.16382
Rwork	0.163
R-free	0.18231
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	1.142
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.500
High resolution limit [Å]	1.400	1.400
Rmerge	0.079	0.690
Number of reflections	121250	22191
<I/σ(I)>	9.1	2.2
Completeness [%]	95.4	93.5
Redundancy	3.6	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	100 mM BisTris, 0.2 M MgCl2, 18% PEG 3350