1JEQ

Crystal Structure of the Ku Heterodimer

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2000-10-23
Detector	BRANDEIS - B4
Wavelength(s)	0.9633, 0.9786, 0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	80.209, 86.186, 203.277
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.700
R-factor	0.222 *
Rwork	0.222
R-free	0.28400 *
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.430 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.080 *	0.410
Total number of observations	94522 *
Number of reflections	35715 *
<I/σ(I)>	8.2
Completeness [%]	92.9	69.8
Redundancy	5.2	2.82

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	22 *	14% PEG 4000, 900 mM sarcosine, 140 mM magnesium chloride, 100 mM Tris-HCl (pH 8.5), VAPOR DIFFUSION, HANGING DROP, temperature 295K

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)