1T94

Crystal structure of the catalytic core of human DNA polymerase kappa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-ID-B
Synchrotron site	APS
Beamline	14-ID-B
Temperature [K]	110
Detector technology	CCD
Collection date	2003-06-13
Detector	ADSC QUANTUM 4
Wavelength(s)	1.12709
Spacegroup name	P 21 21 21
Unit cell lengths	85.209, 109.460, 111.205
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.030 - 2.400
R-factor	0.246
Rwork	0.246
R-free	0.28200
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.700
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.064	0.436
Number of reflections	76925
<I/σ(I)>	11	1.9
Completeness [%]		99.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.75	293	8% PEG 8K, 8% Ethylene Glycol, and 100mM HEPES (pH 7.75), VAPOR DIFFUSION, HANGING DROP, temperature 20K
1	VAPOR DIFFUSION, HANGING DROP	7.75	293	8% PEG 8K, 8% Ethylene Glycol, and 100mM HEPES (pH 7.75), VAPOR DIFFUSION, HANGING DROP, temperature 20K