9O02

Crystal structure of AfOgg1-K122S 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	2002-10-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9648
Spacegroup name	P 1 21 1
Unit cell lengths	50.540, 52.833, 52.339
Unit cell angles	90.00, 96.06, 90.00

Refinement procedure

Resolution	52.050 - 2.500
R-factor	0.2228
Rwork	0.220
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.640
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.050	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.083
Number of reflections	9608	468
<I/σ(I)>	7.6
Completeness [%]	99.9
Redundancy	4.1
CC(1/2)	0.998	0.436

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)