8URN

Crystal structure of EscI(51-87)-linker-EtgA(18-152) fusion protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92010
Spacegroup name	C 1 2 1
Unit cell lengths	107.629, 29.885, 74.564
Unit cell angles	90.00, 118.19, 90.00

Refinement procedure

Resolution	28.500 - 2.010
R-factor	0.19145
Rwork	0.189
R-free	0.24472
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.459
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.500	2.082
High resolution limit [Å]	2.010	2.010
Rmerge	0.094	0.757
Number of reflections	14194	905
<I/σ(I)>	11.8	2.1
Completeness [%]	99.0	88
Redundancy	6.7	6.5
CC(1/2)	0.998	0.709

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	0.1 M sodium acetate pH 4.5 and 2 M ammonium sulfate