1PU8

Crystal structure of H.pylori 3-methyladenine DNA glycosylase (MagIII) bound to 1,N6-ethenoadenine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2002-09-03
Detector	MARRESEARCH
Wavelength(s)	1.542
Spacegroup name	C 1 2 1
Unit cell lengths	146.605, 44.399, 81.516
Unit cell angles	90.00, 106.40, 90.00

Refinement procedure

Resolution	50.000 - 2.130
R-factor	0.20369
Rwork	0.202
R-free	0.23000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pu6
RMSD bond length	0.013
RMSD bond angle	1.508
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.230
High resolution limit [Å]	2.130	2.130
Rmerge	0.084 *	0.369 *
Number of reflections	28226	2783 *
<I/σ(I)>	11.5	2.5
Completeness [%]	99.8	99.6
Redundancy	2.9	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7	4 *	PEG 4000, HEPES, MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4 (mg/ml)
2	1	reservoir	MPD	2 (%)