29MT

Sesterterpene Synthase from Streptomyces mobaraensis (Sestermobaraene Synthase, SmTS1, 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	74.820, 81.560, 98.720
Unit cell angles	101.63, 97.98, 93.90

Refinement procedure

Resolution	30.000 - 1.700
R-factor	0.16412
Rwork	0.162
R-free	0.20242
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.181
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	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.066	0.743
Number of reflections	235171	37502
<I/σ(I)>	10.5
Completeness [%]	94.9	96
Redundancy	3.2	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	100 mM Mes, 0.2 M MgCl2, 10% PEG 4000