8I6A

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU ULTRAX 18
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2020-10-02
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	46.580, 59.700, 75.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.730 - 2.000
R-factor	0.16997
Rwork	0.168
R-free	0.22079
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wrv
RMSD bond length	0.010
RMSD bond angle	1.599
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]	46.730	2.072
High resolution limit [Å]	2.000	2.000
Rmerge	0.033	0.169
Number of reflections	14172	1079
<I/σ(I)>	13.57
Completeness [%]	96.4
Redundancy	2
CC(1/2)	0.995	0.903

Crystallization Conditions

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