6H0S

Crystal structure of the complex between the Lactococcus lactis FPG mutant G226P and a Fapy-dG containing DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2013-02-04
Detector	MAR CCD 165 mm
Wavelength(s)	0.954
Spacegroup name	P 41 21 2
Unit cell lengths	91.704, 91.704, 141.849
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.026 - 1.750
R-factor	0.1578
Rwork	0.157
R-free	0.17730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xc8
RMSD bond length	0.014
RMSD bond angle	1.410
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.860	1.840
High resolution limit [Å]	1.750	1.750
Rmerge	0.056	0.652
Rmeas	0.061	0.702
Rpim	0.022	0.258
Number of reflections	61879	8817
<I/σ(I)>	20.9	3.1
Completeness [%]	99.9	99.1
Redundancy	7.3	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	HEPES, SODIUM CITRATE