8E5Y

Human PU.1 ETS-Domain Bound to d(AATAAGCGGAAGTGGG) Acetate Free at pH 5.4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	43.059, 60.807, 44.437
Unit cell angles	90.00, 116.24, 90.00

Refinement procedure

Resolution	32.600 - 1.320
R-factor	0.1491
Rwork	0.148
R-free	0.16240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8e3k
RMSD bond length	0.009
RMSD bond angle	1.179
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]	32.600	1.367
High resolution limit [Å]	1.320	1.320
Rmerge	0.044	0.350
Rmeas	0.052	0.408
Rpim	0.027	0.205
Number of reflections	47335	4710
<I/σ(I)>	15.84	2.9
Completeness [%]	97.9	98.37
Redundancy	3.7	3.8
CC(1/2)	0.996	0.928

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	293	100 mM Bis-Tris pH 5.4, 2% PEG 3350