1JEY

Crystal Structure of the Ku heterodimer bound to DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9A
Synchrotron site	NSLS
Beamline	X9A
Temperature [K]	100
Detector technology	CCD
Collection date	2001-03-07
Detector	MARRESEARCH
Wavelength(s)	0.97921
Spacegroup name	P 21 21 21
Unit cell lengths	83.920, 126.305, 126.436
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 * - 2.500
R-factor	0.218 *
Rwork	0.218
R-free	0.27600 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jeq
RMSD bond length	0.005 *
RMSD bond angle	1.220 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.065	0.311 *
Total number of observations	141891 *
Number of reflections	46385 *
<I/σ(I)>	17.5	3.6
Completeness [%]	96.4	82.3 *
Redundancy	3.1	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	22 *	26% polyethylene glycol 350 monomethyl ether, 50 mM Tris-HCL pH 8.0, 5 mM magnesium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	PEG 350 monomethyl ether
2	1	1	Tris-HCl
3	1	1	MgCl2

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	18 (mg/ml)
2	1	reservoir	PEG350MME	26 (%)
3	1	reservoir	Tris-HCl	50 (mM)	pH8.0
4	1	reservoir		5 (mM)