8TAD

RTA in complex with inhibitor RUNT-206

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 63 2 2
Unit cell lengths	169.877, 169.877, 54.639
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.040 - 2.760
R-factor	0.221
Rwork	0.219
R-free	0.25610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.576
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.800
High resolution limit [Å]	2.750	7.460	2.750
Rmerge		0.085	3.232
Rmeas		0.087	3.290
Rpim		0.020	0.609
Number of reflections	12372	716	594
<I/σ(I)>	2.2
Completeness [%]	100.0	100	100
Redundancy	20	19.2	27.8
CC(1/2)		0.999	0.526

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	50 mM KH2PO4 and 20% PEG 8000