4PDI

Crystal structure of a complex between an inhibited LlFpg and a N7-Benzyl-Fapy-dG containing DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-09-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.54980
Spacegroup name	P 41 21 2
Unit cell lengths	91.535, 91.535, 140.974
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.670 - 2.100
R-factor	0.1616
Rwork	0.160
R-free	0.19020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c58
RMSD bond length	0.008
RMSD bond angle	1.075
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.670	2.220
High resolution limit [Å]	2.100	2.100
Rmerge	0.103	0.705
Number of reflections	66600
<I/σ(I)>	17	3
Completeness [%]	100.0	99.8
Redundancy	13.7	11.1

Crystallization Conditions

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