7CLI

Structure of NF-kB p52 homodimer bound to P-Selectin kB DNA fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97852
Spacegroup name	P 21 21 21
Unit cell lengths	84.495, 85.370, 140.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.722 - 3.000
Rwork	0.236
R-free	0.27530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a3q
RMSD bond length	0.012
RMSD bond angle	1.780
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.630	3.160
High resolution limit [Å]	3.000	3.000
Number of reflections	19950	2963
<I/σ(I)>	14.3	1.9
Completeness [%]	95.4	98.2
Redundancy	14	14.2
CC(1/2)	0.999	0.767

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1M Sodium malonate, pH 4.0, 0.2M CsCl, 5% PEG 3350