6UBF

Role of Beta-hairpin motifs in the 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-E
Synchrotron site	APS
Beamline	21-ID-E
Temperature [K]	277
Detector technology	CCD
Collection date	2015-12-21
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97919
Spacegroup name	P 41 21 2
Unit cell lengths	78.723, 78.723, 403.824
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.747 - 4.597
R-factor	0.316
Rwork	0.314
R-free	0.35580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yir
RMSD bond length	0.009
RMSD bond angle	1.415
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	4.070
High resolution limit [Å]	4.000	10.820	4.000
Rmerge	0.267	0.695
Rmeas	0.279	0.332
Rpim	0.079	0.098	0.346
Total number of observations	166159
Number of reflections	7782	743	560
<I/σ(I)>	5
Completeness [%]	100.0	100	100
Redundancy	13.7	12.5	11.1
CC(1/2)		0.731	0.858

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