7O56

X-ray Structure of Interferon Regulatory Factor 4 DNA binding domain bound to an interferon-stimulated response element solved by Phosphorus and Sulphur SAD methods

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I23
Synchrotron site	DIAMOND
Beamline	I23
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-14
Detector	DECTRIS PILATUS 12M
Wavelength(s)	2.7552
Spacegroup name	C 2 2 21
Unit cell lengths	77.880, 112.440, 140.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.330 - 2.600
R-factor	0.2136
Rwork	0.212
R-free	0.24130
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.239
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	CRANK2
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.330	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.103	2.760
Rmeas	0.104	2.781
Number of reflections	19282	1865
<I/σ(I)>	41.49	1.65
Completeness [%]	99.2	98.1
Redundancy	81	66.1
CC(1/2)	1.000	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.2	293	0.1M sodium acetate, 5% PEG 4000, 10mM EDTA