8EMD

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

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	2021-05-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000000
Spacegroup name	P 1 21 1
Unit cell lengths	43.009, 60.549, 44.566
Unit cell angles	90.00, 116.72, 90.00

Refinement procedure

Resolution	33.260 - 1.550
R-factor	0.1649
Rwork	0.162
R-free	0.20150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8e3k
RMSD bond length	0.010
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]	33.260	1.605
High resolution limit [Å]	1.550	1.550
Rmerge	0.045	0.495
Rmeas	0.054	0.591
Rpim	0.029	0.320
Number of reflections	28806	2825
<I/σ(I)>	14.1	2.29
Completeness [%]	96.8	96.35
Redundancy	3.3	3.3
CC(1/2)	0.998	0.838

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