1PU6

Crystal structure of H.pylori 3-methyladenine DNA glycosylase (MagIII)

Experimental procedure

Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	110
Detector technology	CCD
Collection date	2002-01-11
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9450
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	25.000 * - 1.640
R-factor	0.15301
Rwork	0.151
R-free	0.18500 *
Structure solution method	MAD
RMSD bond length	0.021
RMSD bond angle	1.602
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000 *	1.710
High resolution limit [Å]	1.640	1.640
Rmerge	0.099 *	0.337 *
Number of reflections	60643	6066 *
<I/σ(I)>	21.8	4.3
Completeness [%]	99.9	99.7
Redundancy	8.1	5.7

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
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 (%)