9BOR

IkappaBzeta ankyrin repeat domain:NF-kappaB p50 homodimer complex at 2.0 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.99
Spacegroup name	P 1 21 1
Unit cell lengths	51.415, 58.931, 108.806
Unit cell angles	90.00, 99.15, 90.00

Refinement procedure

Resolution	43.310 - 1.997
R-factor	0.1823
Rwork	0.181
R-free	0.20780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4TRV
RMSD bond length	0.005
RMSD bond angle	0.914
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.041
High resolution limit [Å]	1.997	1.997
Number of reflections	43393	2608
<I/σ(I)>	20.4	2.097
Completeness [%]	98.9	96.51
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		303	20mM acetic acid pH 5.2, 80mM acetic acid pH 5.8, 5.5% PEG 3350, 10mM DTT, 0.5% 1,2,3 heptanetriol