8I6C

Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 6-Formyl-uracil, 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	2021-04-26
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	46.510, 59.920, 75.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.580 - 2.280
R-factor	0.21228
Rwork	0.209
R-free	0.27920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wrv
RMSD bond length	0.008
RMSD bond angle	1.587
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]	39.550	2.362
High resolution limit [Å]	2.280	2.280
Rmerge	0.067	0.382
Number of reflections	9957	942
<I/σ(I)>	6.84
Completeness [%]	98.3
Redundancy	2
CC(1/2)	0.989	0.869

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		293	0.1 M Bis-Tris pH 5.5, 0.5 M Sodium citrate, 25% PEG (w/v) 3350