8EQL

Human PU.1 ETS-Domain (165-270) Q226E Mutant Bound to d(AATAACCGGAAGTGGG)

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	2022-09-28
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920105
Spacegroup name	P 1 21 1
Unit cell lengths	43.033, 60.576, 44.605
Unit cell angles	90.00, 116.71, 90.00

Refinement procedure

Resolution	24.110 - 1.520
R-factor	0.1613
Rwork	0.159
R-free	0.19450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8e3k
RMSD bond length	0.009
RMSD bond angle	1.217
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]	24.110	1.574
High resolution limit [Å]	1.520	1.520
Rmerge	0.056	0.469
Rmeas	0.063	0.520
Rpim	0.027	0.222
Number of reflections	31514	3135
<I/σ(I)>	14.35	2.82
Completeness [%]	99.7	99.84
Redundancy	5.3	5.4
CC(1/2)	0.998	0.929

Crystallization Conditions

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