9QE9

Catalytic domain of Streptomyces Antiquus Insecticidal Protein (SAIP) from Streptomyces klenkii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.6702
Spacegroup name	C 2 2 2
Unit cell lengths	71.166, 153.523, 71.216
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.400 - 3.000
R-factor	0.2518
Rwork	0.249
R-free	0.30050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.375
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.900	3.180
High resolution limit [Å]	3.000	3.000
Rmerge	0.364	0.782
Rmeas	0.411	0.873
Rpim	0.189	0.386
Number of reflections	7385	1286
<I/σ(I)>	7.8	3.9
Completeness [%]	91.1	100
Redundancy	8.8	9.5
CC(1/2)	0.932	0.702

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.2 M tri-sodium citrate, 0.1 M sodium cacodylate, pH 5.5, 200 mM NDSB-211 (3-[(2-Hydroxyethyl)(dimethyl)ammonio]propane-1-sulfonate)