8C8I

Human dUTPase in complex with a potent proteinaceous inhibitor (Stl)

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)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	78.450, 82.660, 139.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.690 - 3.200
R-factor	0.196
Rwork	0.193
R-free	0.25090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.694
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.100	3.370
High resolution limit [Å]	3.200	3.200
Rmerge		1.077
Number of reflections	15601	2232
<I/σ(I)>	9.6
Completeness [%]	100.0	100
Redundancy	6.8
CC(1/2)	0.992

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	Ammonium sulfate, Sodium acetate