8X0V

Crystal structure of cupin-like fold protein StrC in complex with substrate analogue from Stachybotrys sp.g12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2023-04-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97852
Spacegroup name	P 1 21 1
Unit cell lengths	73.524, 253.461, 73.694
Unit cell angles	90.00, 102.50, 90.00

Refinement procedure

Resolution	46.070 - 2.400
R-factor	0.1911
Rwork	0.189
R-free	0.22610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.632
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.070	2.480
High resolution limit [Å]	2.400	2.400
Number of reflections	102592	10218
<I/σ(I)>	12.42
Completeness [%]	99.9
Redundancy	6.9
CC(1/2)	0.997	0.635

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M calcium acetate, 25% PEG3350