3KNT

Crystal structure of Methanocaldococcus jannaschii 8-oxoguanine glycosylase/lyase in complex with 15mer DNA containing 8-oxoguanine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2009-09-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	54.800, 150.030, 90.270
Unit cell angles	90.00, 107.53, 90.00

Refinement procedure

Resolution	19.800 - 2.700
R-factor	0.1901
Rwork	0.188
R-free	0.22510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fhf
RMSD bond length	0.004
RMSD bond angle	0.984
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.800	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.124	0.010
Number of reflections	37810
<I/σ(I)>	12.58	1.72
Completeness [%]	99.0	99.2
Redundancy	3.82	3.87

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	PEG-8000 16%, 0.1M NaCl, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K