8CGA

Structure of Mycobacterium tuberculosis dUTPase delta 133A-137S mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	P 63
Unit cell lengths	55.249, 55.249, 83.751
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.850 - 1.300
R-factor	0.1424
Rwork	0.141
R-free	0.17010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2py4
RMSD bond length	0.007
RMSD bond angle	1.032
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.850	47.850	1.350
High resolution limit [Å]	1.300	2.800	1.300
Rmerge	0.032	0.015	0.293
Rmeas	0.045	0.021	0.415
Rpim	0.032	0.015	0.294
Number of reflections	35602	3613	3581
<I/σ(I)>	14.2	42	2.7
Completeness [%]	100.0	100	100
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	1.5 M Ammonium sulphate, 0.1 M Tris, 12% Glycerol