8P8O

M. tuberculosis dUTPase - Stl1-159 (StlNT) complex structure

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 21 21 21
Unit cell lengths	104.669, 123.820, 170.229
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.380 - 3.400
R-factor	0.2467
Rwork	0.244
R-free	0.28560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.449
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.380	3.500
High resolution limit [Å]	3.400	3.410
Rmeas	0.156	6.237
Number of reflections	30380	2113
<I/σ(I)>	13.92	0.48
Completeness [%]	97.5	93.2
Redundancy	5.24	5.21
CC(1/2)	0.999	0.314

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.1 M TRIS, 20% PEG 4000