4L5N

Crystallographic Structure of HHV-1 Uracil-DNA Glycosylase complexed with the Bacillus phage PZA inhibitor protein p56

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-01-01
Detector	PSI PILATUS 6M
Wavelength(s)	0.92
Spacegroup name	P 21 21 21
Unit cell lengths	52.704, 91.375, 162.862
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.160
R-factor	0.1725
Rwork	0.171
R-free	0.20180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.010
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.220
High resolution limit [Å]	2.160	12.770	2.160
Rmerge		0.020	0.642
Number of reflections	44596
<I/σ(I)>		53	2.3
Completeness [%]	99.2	99.4	99.2
Redundancy		4.4	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	289	0.09M Ammonium Acetate, 14.3% Peg 10K, 0.1M Bis-Tris pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K