8UFZ

Human PU.1 ETS-Domain (165-270) Bound to d(AATAAAAGCGGAAGTG) in Ternary Complex with DB1976

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.920119
Spacegroup name	P 1 21 1
Unit cell lengths	55.375, 74.446, 58.097
Unit cell angles	90.00, 113.84, 90.00

Refinement procedure

Resolution	29.290 - 3.060
R-factor	0.2598
Rwork	0.257
R-free	0.28600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.808
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.290	3.270
High resolution limit [Å]	3.060	3.060
Rmerge	0.096	0.254
Rmeas	0.109	0.290
Rpim	0.052	0.138
Number of reflections	8196	1485
<I/σ(I)>	7	2.3
Completeness [%]	99.4	99.2
Redundancy	4.3	4.4
CC(1/2)	0.994	0.982

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	100mM TRIS Base (HCl adjusted), pH=8.5, 200mM Ammonium Acetate, 24% PEG3350 1:1 hanging drop with 250uM protein/DNA complex - Ligand incorporated via soaking at 500uM concentration 24h