8UFF

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.977410
Spacegroup name	P 1 21 1
Unit cell lengths	42.913, 60.292, 44.393
Unit cell angles	90.00, 116.36, 90.00

Refinement procedure

Resolution	33.200 - 1.660
R-factor	0.1658
Rwork	0.162
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.340
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.200	1.719
High resolution limit [Å]	1.660	1.660
Rmerge	0.044	0.347
Rmeas	0.051	0.401
Rpim	0.026	0.200
Number of reflections	23969	2414
<I/σ(I)>	17.45	3.71
Completeness [%]	99.5	99.3
Redundancy	3.7	3.9
CC(1/2)	0.999	0.956

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	295	100mM Sodium Acetate, pH=4.6, 2% PEG 3350 well solution mixed 1:1 with 250uM Protein/DNA Complex