4WPK

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-25
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.72932
Spacegroup name	P 1 21 1
Unit cell lengths	38.919, 63.473, 45.186
Unit cell angles	90.00, 112.89, 90.00

Refinement procedure

Resolution	23.740 - 0.980
R-factor	0.13746
Rwork	0.137
R-free	0.15416
Starting model (for MR)	3a7n
RMSD bond length	0.020
RMSD bond angle	1.912
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.740	1.030
High resolution limit [Å]	0.980	0.980
Number of reflections	115505
<I/σ(I)>	9.4	2.4
Completeness [%]	100.0	100
Redundancy	4.9	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	293	1.6 M Sodium citrate tribasic dihydrate