9E6W

NF-kappaB RelA homo-dimer bound to a kappaB site of Cxcl2 gene

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2023-01-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 2
Unit cell lengths	118.789, 133.081, 45.356
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.480 - 2.040
R-factor	0.2457
Rwork	0.244
R-free	0.28290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.718
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (dev_4788)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.030	5.510	2.030
Rmerge	0.078	0.038	1.718
Rmeas	0.082	0.040	1.806
Rpim	0.022	0.011	0.547
Number of reflections	46623	2507	2326
<I/σ(I)>	8.3
Completeness [%]	99.4	97.7	99.5
Redundancy	13	12.5	10.6
CC(1/2)	1.000	0.997	0.681

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Tris HCl 25mM pH 7.5, NaCl 50 mM, DTT 1 mM, MES 50 mM pH 5.5, CaCl2 2 mM, Spermidine 1 mM, b-D-octylglucopyranoside 0.05%, Ammonium chloride 50 mM, PEG3350 14%