7W7L

Structure of NF-kB p52 homodimer bound to 13-mer A/T-centric P-Selectin kB DNA fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979183
Spacegroup name	P 62 2 2
Unit cell lengths	225.276, 225.276, 96.937
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.770 - 3.000
Rwork	0.238
R-free	0.25810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a3q
RMSD bond length	0.011
RMSD bond angle	1.887
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.770	3.160
High resolution limit [Å]	3.000	3.000
Number of reflections	29500	4217
<I/σ(I)>	18	2.4
Completeness [%]	100.0
Redundancy	37.3
CC(1/2)	0.999	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	50mM MES, pH 6.0, 10mM MgCl2, 10% PEG 3350