6RNM

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	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-11
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.96770
Spacegroup name	P 41 21 2
Unit cell lengths	91.957, 91.957, 142.182
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.130 - 1.760
R-factor	0.17
Rwork	0.169
R-free	0.18800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pm5
RMSD bond length	0.010
RMSD bond angle	1.000
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.130	1.790
High resolution limit [Å]	1.760	1.760
Rmerge	0.056	0.957
Number of reflections	61222	3017
<I/σ(I)>	18.3
Completeness [%]	99.9	99.3
Redundancy	7.2	7.5

Crystallization Conditions

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