9QTG

Simkania negevensis CE-clan virulence factor SnCE1 in complex with hsSUMO1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-01-22
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	34.967, 56.164, 148.651
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.190 - 1.550
Rwork	0.153
R-free	0.21630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.748
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.550	49.550	1.580
High resolution limit [Å]	1.550	8.490	1.550
Rmerge	0.117	0.044	1.397
Rmeas	0.127	0.047	1.532
Rpim	0.049	0.018	0.624
Number of reflections	43672	339	2140
<I/σ(I)>	11.9	39.3	1.7
Completeness [%]	100.0	99.6	100
Redundancy	12.6	9.7	11.4
CC(1/2)	0.999	0.999	0.352

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.2 M calcium acetate, 20% PEG3350