8I63

Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form III

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2020-08-03
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	P 21 21 21
Unit cell lengths	46.380, 59.700, 73.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.860 - 1.950
R-factor	0.17809
Rwork	0.176
R-free	0.21886
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wrv
RMSD bond length	0.008
RMSD bond angle	1.520
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.840	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.054	0.403
Number of reflections	15145	1449
<I/σ(I)>	8.01
Completeness [%]	97.9
Redundancy	2
CC(1/2)	0.996	0.678

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	293	0.1 M Bis-Tris pH 6.5, 25% (w/v) PEG 3350