8EK3

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000050
Spacegroup name	P 1 21 1
Unit cell lengths	42.915, 61.270, 44.246
Unit cell angles	90.00, 117.08, 90.00

Refinement procedure

Resolution	33.140 - 1.380
R-factor	0.1434
Rwork	0.142
R-free	0.16690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8e3k
RMSD bond length	0.009
RMSD bond angle	1.156
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]	33.140	1.429
High resolution limit [Å]	1.380	1.380
Rmerge	0.026	0.245
Rmeas	0.030	0.285
Rpim	0.015	0.144
Number of reflections	40742	4022
<I/σ(I)>	27.83	5.25
Completeness [%]	96.9	95.7
Redundancy	3.7	3.8
CC(1/2)	0.999	0.983

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