9BDU

NF-kappaB RelA homo-dimer bound to AT-centric kappaB DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	80
Detector technology	CCD
Collection date	2013-11-19
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	P 21 21 2
Unit cell lengths	115.516, 133.568, 45.443
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.910 - 2.030
R-factor	0.22573
Rwork	0.223
R-free	0.27330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ram
RMSD bond length	0.006
RMSD bond angle	1.204
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.060
High resolution limit [Å]	2.030	5.500	2.030
Rmerge	0.994	0.051	2.320
Number of reflections	46270	2428	2286
<I/σ(I)>	6.9
Completeness [%]	99.7	95.4	99.1
Redundancy	12.1	11.5	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG3350, MES, beta-octylglucoside, spermine