3VK8

Crystal structure of DNA-glycosylase bound to DNA containing Thymine glycol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-25
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	39.737, 121.617, 80.836
Unit cell angles	90.00, 95.54, 90.00

Refinement procedure

Resolution	14.960 - 2.000
R-factor	0.201
Rwork	0.200
R-free	0.23040
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	1.165
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	35.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.133	0.077	0.370
Number of reflections	96852
<I/σ(I)>	6.7
Completeness [%]	94.2	100	73.3
Redundancy	8	10	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	285	PEG 3350, Mg(NO3)2, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 285K
1	VAPOR DIFFUSION, HANGING DROP	6.3	285	PEG 3350, Mg(NO3)2, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 285K