6RO2

The crystal structure of a complex between the LlFpg protein, a THF-DNA and an inhibitor

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	2014-07-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97857
Spacegroup name	P 41 21 2
Unit cell lengths	91.361, 91.361, 141.031
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.634 - 1.821
R-factor	0.1566
Rwork	0.156
R-free	0.17230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pm5
RMSD bond length	0.007
RMSD bond angle	1.087
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.630	1.920
High resolution limit [Å]	1.820	1.820
Rmerge	0.052
Number of reflections	53367	7546
<I/σ(I)>	18.4
Completeness [%]	98.8	97.7
Redundancy	6.6
CC(1/2)	0.999

Crystallization Conditions

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