5LCL

STRUCTURE OF the RAD14 DNA-binding domain IN COMPLEX WITH C8-aminofluorene- GUANINE CONTAINING DNA

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	2016-04-09
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 41
Unit cell lengths	53.205, 53.205, 130.965
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.300 - 2.200
R-factor	0.2184
Rwork	0.217
R-free	0.25555
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5g32
RMSD bond length	0.015
RMSD bond angle	2.029
Data reduction software	XDS (VERSION Oct 15, 2015)
Data scaling software	XDS (VERSION Oct 15, 2015)
Phasing software	REFMAC (5.8.0151)
Refinement software	REFMAC (5.8.0151)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.300	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.168	0.900
Number of reflections	18314
<I/σ(I)>	8.6	1.6
Completeness [%]	99.0	93
Redundancy	7	5.6
CC(1/2)	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	0.22M ammonium nitrate 38% 2-methyl-1,3,-propanediol