8XXE

TtCS-intermediate complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-01-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 43 21 2
Unit cell lengths	109.910, 109.910, 265.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.460 - 2.080
R-factor	0.17326
Rwork	0.171
R-free	0.21672
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.555
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.460	2.130
High resolution limit [Å]	2.080	2.080
Rmerge	0.181	1.313
Rmeas	0.189
Rpim		0.363
Number of reflections	98252	7160
<I/σ(I)>	19.3
Completeness [%]	100.0
Redundancy	25.7
CC(1/2)	0.999	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	0.1M BIS-TRIS pH 6.5, 2.4M Ammonium sulfate