4IRB

Crystal Structure of Vaccinia Virus Uracil DNA Glycosylase Mutant del171-172D4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-02-24
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	101.900, 130.510, 86.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.643 - 2.300
R-factor	0.2136
Rwork	0.211
R-free	0.25840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2owq
RMSD bond length	0.006
RMSD bond angle	1.016
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.870	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.088	0.476
Number of reflections	51531
<I/σ(I)>	11.2	3.7
Completeness [%]	99.5	99.4
Redundancy	6.3	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	295	0.9M ammonium sulfate, 0.1M Hepes, 10% glycerol; microseeding, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K