8T9V

RTA-RUNT-59 complex structure

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	2021-09-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 63 2 2
Unit cell lengths	169.078, 169.078, 54.772
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.809 - 1.945
R-factor	0.178
Rwork	0.176
R-free	0.20590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.195
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.980
High resolution limit [Å]	1.945	5.290	1.950
Rmerge	0.140	0.047	3.665
Rmeas		0.048	3.755
Rpim		0.009	0.808
Number of reflections	34295	1910	1684
<I/σ(I)>	4.2
Completeness [%]	100.0	99.8	100
Redundancy	20	28.7	21.6
CC(1/2)		1.000	0.528

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	200 mM di-Ammonium tartrate and 20% PEG 3350