5NNH

KSHV uracil-DNA glycosylase, apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-14
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.96858
Spacegroup name	C 1 2 1
Unit cell lengths	105.201, 53.811, 40.811
Unit cell angles	90.00, 93.39, 90.00

Refinement procedure

Resolution	52.510 - 2.200
R-factor	0.196
Rwork	0.194
R-free	0.24360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j8x
RMSD bond length	0.013
RMSD bond angle	1.606
Data reduction software	DIALS (1.3)
Data scaling software	Aimless (0.5.23)
Phasing software	PHASER (2.7.16)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.630	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.089	0.567
Rpim	0.204
Number of reflections	11700	1027
<I/σ(I)>	8.2
Completeness [%]	100.0	100
Redundancy	16.1	15
CC(1/2)	0.996	0.858

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	0.1 M bis-tris, 0.2 M lithium sulfate monohydrate, 25% PEG 3350