1YJ5

Molecular architecture of mammalian polynucleotide kinase, a DNA repair enzyme

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-09-20
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0199, 0.9793, 0.9797
Spacegroup name	P 21 21 2
Unit cell lengths	95.473, 169.872, 77.016
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.750 - 2.800
R-factor	0.22029
Rwork	0.219
R-free	0.25250
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	0.923
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	31529
<I/σ(I)>	13.1	2.4
Completeness [%]	99.0	91.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	293	0.1M Tris (pH 8.3 - 8.7), 18-20% PEG 5000 MME, 0.1M Li2SO4, 5mM DTT, VAPOR DIFFUSION, SITTING DROP, temperature 293K