6FL1

Crystal structure of the complex between the Lactococcus lactis FPG mutant T221P 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	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95373
Spacegroup name	P 41 21 2
Unit cell lengths	91.369, 91.369, 141.673
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.735 - 1.600
R-factor	0.1639
Rwork	0.163
R-free	0.17830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xc8
RMSD bond length	0.007
RMSD bond angle	0.989
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.740	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.050	0.462
Number of reflections	78211	10201
<I/σ(I)>	21.3	3.5
Completeness [%]	98.4	90
Redundancy	7	5.6

Crystallization Conditions

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