1MY7

NF-kappaB p65 subunit dimerization domain homodimer N202R mutation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2001-11-25
Detector	SBC-2
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	55.988, 75.072, 108.733
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 1.490
R-factor	0.247
Rwork	0.233
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdb id 1bft
RMSD bond length	0.005
RMSD bond angle	1.430
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.540
High resolution limit [Å]	1.490	1.490
Rmerge	0.054 *	0.327 *
Total number of observations	368554 *
Number of reflections	36240
<I/σ(I)>	13.9	2.5
Completeness [%]	91.8	82.7
Redundancy	10.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5	18 *	0.l M sodium HEPES, 0.2 M sodium tartrate, 2 M ammonium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	reservoir	HEPES	0.1 (M)	pH7.5
3	1	reservoir	sodium tartrate	0.15-0.2 (M)
4	1	reservoir	ammonium sulfate	1.9-2.1 (M)