2DDG

Crystal structure of uracil-DNA glycosylase in complex with AP:G containing DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-12-11
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	68.927, 150.174, 93.408
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.160 - 2.100
Rwork	0.218
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.043
RMSD bond angle	3.100
Phasing software	MLPHARE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.160	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.068	0.273
Number of reflections	28574
<I/σ(I)>	9.9	3.7
Completeness [%]	100.0	99.9
Redundancy	4.1	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.9	293	1.4M NaKPO4, pH 3.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	NaKPO4
2	1	1	HOH
3	1	2	NaKPO4
4	1	2	HOH