9E40

RTA-RUNT-202 complex

This is a non-PDB format compatible entry.

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 21 21 21
Unit cell lengths	36.544, 81.654, 89.713
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.310 - 1.800
R-factor	0.1592
Rwork	0.158
R-free	0.18010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.696
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	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.108	0.060	0.263
Rmeas	0.115	0.063	0.287
Rpim	0.037	0.019	0.112
Total number of observations	230090
Number of reflections	25633	1425	1273
<I/σ(I)>	9.5
Completeness [%]	99.8	99.6	99.7
Redundancy	9	10.7	6.4
CC(1/2)	0.993	0.998	0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	Tris pH 7.0, 40% PEG 300, and 5% PEG 1000