6ROK

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 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98010
Spacegroup name	P 41 21 2
Unit cell lengths	91.633, 91.633, 141.858
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.839 - 1.950
R-factor	0.1689
Rwork	0.168
R-free	0.19560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pm5
RMSD bond length	0.016
RMSD bond angle	1.477
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10_2142)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.840	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.064
Number of reflections	44101	3023
<I/σ(I)>	14.7	1.5
Completeness [%]	99.0	97.3
Redundancy	4.8
CC(1/2)	0.999

Crystallization Conditions

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