8WM0

Crystal structure of TNIK-thiopeptide wTP3 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	93
Detector technology	PIXEL
Collection date	2023-06-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	P 65
Unit cell lengths	53.720, 53.720, 220.170
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.500 - 2.800
Rwork	0.227
R-free	0.28520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7xzq
RMSD bond length	0.003
RMSD bond angle	1.250
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.500	2.950
High resolution limit [Å]	2.800	2.800
Number of reflections	8896	1291
<I/σ(I)>	25.2
Completeness [%]	100.0
Redundancy	62.2
CC(1/2)	0.999	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		283	13% Tacsimate pH6.0