8E3R

Human PU.1 ETS-Domain (165-270) Bound to d(AATAAAAGGAAGTGGG)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2021-04-07
Detector	RAYONIX MX300-HS
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	42.963, 60.345, 44.637
Unit cell angles	90.00, 116.34, 90.00

Refinement procedure

Resolution	32.460 - 1.450
R-factor	0.125
Rwork	0.123
R-free	0.15290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8e3k
RMSD bond length	0.009
RMSD bond angle	1.121
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]	32.460	1.502
High resolution limit [Å]	1.450	1.450
Rmerge	0.038	0.609
Rmeas	0.021	0.699
Rpim	0.043	0.341
Number of reflections	34839	3390
<I/σ(I)>	20.79	2.27
Completeness [%]	96.0	93.93
Redundancy	4.2	4.1
CC(1/2)	0.998	0.811

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