3S6I

Schizosaccaromyces pombe 3-methyladenine DNA glycosylase (Mag1) in complex with abasic-DNA.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	110
Detector technology	CCD
Collection date	2009-02-16
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	54.317, 112.298, 61.113
Unit cell angles	90.00, 99.55, 90.00

Refinement procedure

Resolution	29.100 - 2.280
R-factor	0.1869
Rwork	0.185
R-free	0.22540
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.185
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.100	2.380
High resolution limit [Å]	2.280	2.280
Number of reflections	32231
<I/σ(I)>	11.5	2.5
Completeness [%]	99.6	98.1
Redundancy	4.8	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	0.1 M MES (pH 6.5), 20% (w/v) PEG 8K and 2.4% (v/v) glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 294K
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	0.1 M MES (pH 6.5), 20% (w/v) PEG 8K and 2.4% (v/v) glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 294K