9BDW

NF-kappaB RelA homo-dimer bound to GC-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	2013-11-04
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	P 21 21 2
Unit cell lengths	119.263, 133.084, 45.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.820 - 1.870
R-factor	0.15729
Rwork	0.154
R-free	0.22729
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ram
RMSD bond length	0.007
RMSD bond angle	1.676
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	1.900
High resolution limit [Å]	1.870	5.070	1.870
Rmerge	0.987	0.047	3.696
Total number of observations	409360
Number of reflections	60489	3047	3019
<I/σ(I)>	9.6
Completeness [%]	99.5	92.3	99.8
Redundancy	6.8	6	5.8

Crystallization Conditions

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