4WRW

Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase, Form IV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-09-07
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	P 21 21 21
Unit cell lengths	45.710, 63.910, 86.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.240 - 1.900
R-factor	0.16534
Rwork	0.163
R-free	0.20181
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3a7n
RMSD bond length	0.019
RMSD bond angle	1.886
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.240	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.263	0.931
Number of reflections	20588
<I/σ(I)>	7.4	2.7
Completeness [%]	99.7	99.2
Redundancy	12.5	12.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	293	Sodium citrate tribasic dihydrate