5NNU

KSHV uracil-DNA glycosylase, product complex with dsDNA exhibiting duplex nucleotide flipping

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-14
Detector	PSI PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	82.100, 70.800, 140.250
Unit cell angles	90.00, 94.36, 90.00

Refinement procedure

Resolution	49.200 - 2.970
R-factor	0.2451
Rwork	0.244
R-free	0.26920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j8x
RMSD bond length	0.015
RMSD bond angle	1.664
Data reduction software	XDS
Data scaling software	Aimless (0.5.23)
Phasing software	MOLREP (11.0)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.090	9.850
High resolution limit [Å]	2.970	2.970
Rmerge	0.151	0.694
Rpim	0.144	0.650
Number of reflections	33476	4405
<I/σ(I)>	6.7	1.9
Completeness [%]	100.0	100
Redundancy	3.4	3.4
CC(1/2)	0.971	0.656

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	289	0.1 M sodium acetate, 0.1 M magnesium acetate, 8% (w/v) PEG 8000