9O01

Crystal structure of AfOgg1-D140N mutant bound to 8-OG DNA duplex in an intermediate state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2002-04-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.11699
Spacegroup name	P 1 21 1
Unit cell lengths	52.013, 52.839, 53.459
Unit cell angles	90.00, 100.46, 90.00

Refinement procedure

Resolution	40.520 - 1.950
R-factor	0.2252
Rwork	0.221
R-free	0.25980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.712
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.520	1.990
High resolution limit [Å]	1.950	1.950
Rmerge	0.120	1.870
Number of reflections	20265	1176
<I/σ(I)>	7.1
Completeness [%]	96.3
Redundancy	3.4
CC(1/2)	0.996	0.215

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	20-30% PEG4000, 100 mM MES, pH 6.5, 5% potassium permanganate (saturated)