8ENG

Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGAAGTGGG) with Hemi-methylated CpG (forward strand)

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	2021-03-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000000
Spacegroup name	P 1 21 1
Unit cell lengths	42.908, 60.829, 44.631
Unit cell angles	90.00, 116.71, 90.00

Refinement procedure

Resolution	33.350 - 1.250
R-factor	0.1361
Rwork	0.135
R-free	0.15810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8e3k
RMSD bond length	0.009
RMSD bond angle	1.236
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]	33.350	1.295
High resolution limit [Å]	1.250	1.250
Rmerge	0.056	0.503
Rmeas	0.066	0.587
Rpim	0.033	0.297
Number of reflections	55755	5601
<I/σ(I)>	11.85	2.43
Completeness [%]	98.3	99.17
Redundancy	3.8	3.8
CC(1/2)	0.997	0.894

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