9RS5

Sesterterpene Synthase from Kitasatospora viridis (I303Y-Variant, 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	2024-11-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976
Spacegroup name	P 41 21 2
Unit cell lengths	95.530, 95.530, 114.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.650
R-factor	0.15799
Rwork	0.157
R-free	0.17940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	1.162
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	1.750
High resolution limit [Å]	1.650	1.650
Rmerge	0.068	0.798
Number of reflections	63976	10189
<I/σ(I)>	18.2	3.1
Completeness [%]	99.7	99.9
Redundancy	7.3	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.1 M HEPES, 1.4 M tri-sodium citrate