6UG1

Sequence impact in DNA duplex opening by the Rad4/XPC nucleotide excision repair complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	277
Detector technology	CCD
Collection date	2016-01-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97919
Spacegroup name	P 1
Unit cell lengths	53.244, 59.571, 78.240
Unit cell angles	105.51, 97.88, 107.14

Refinement procedure

Resolution	39.412 - 2.833
R-factor	0.2264
Rwork	0.224
R-free	0.27190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	2.113
Data reduction software	d*TREK
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.800	2.800
Number of reflections	18202	18202
<I/σ(I)>	17.35
Completeness [%]	91.2
Redundancy	2.9
CC(1/2)	0.744

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	277	50 mM BTP-HCl, 150 mM sodium chloride, 12% isopropanol, 100 mM calcium chloride