9OB0

Human PU.1 ETS-Domain (165-270) Bound to d(5'-AATAAGCGIAAGTGGG-3') d(5'-TCCCACTTTCGCTTAT-3') with an IT mismatch

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-20
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920100
Spacegroup name	P 1 21 1
Unit cell lengths	42.996, 60.588, 44.909
Unit cell angles	90.00, 116.79, 90.00

Refinement procedure

Resolution	24.170 - 1.790
R-factor	0.1702
Rwork	0.166
R-free	0.21060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.445
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]	24.170	1.854
High resolution limit [Å]	1.790	1.790
Rmerge	0.073	0.513
Rmeas	0.084	0.590
Rpim	0.042	0.288
Number of reflections	19169	1873
<I/σ(I)>	10.8	2.41
Completeness [%]	98.2	97.24
Redundancy	3.9	4.1
CC(1/2)	0.998	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	2% PEG 3350, 100 mM Sodium Acetate, pH 4.6