2DEM

Crystal structure of Uracil-DNA glycosylase in complex with AP:A 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	2005-01-12
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	68.920, 150.170, 93.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.030 - 1.950
Rwork	0.200
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ddg
RMSD bond length	0.025
RMSD bond angle	2.300
Phasing software	MLPHARE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.030	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.062	0.305
Number of reflections	35480
<I/σ(I)>	12.3	4
Completeness [%]	100.0	100
Redundancy	4.14	4.06

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