7DLV

shrimp dUTPase in complex with Stl

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9788
Spacegroup name	P 1 21 1
Unit cell lengths	74.702, 135.884, 135.627
Unit cell angles	90.00, 105.79, 90.00

Refinement procedure

Resolution	94.126 - 2.525
R-factor	0.1773
Rwork	0.172
R-free	0.20090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6h49
Data reduction software	XDS (Mar 15, 2019 (BUILT 20190315))
Data scaling software	Aimless (0.5.29)
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	94.130	2.568
High resolution limit [Å]	2.525	2.525
Rmeas	0.062	0.801
Rpim	0.024	0.297
Number of reflections	86385	4290
<I/σ(I)>	22.6	2.1
Completeness [%]	98.8	98.3
Redundancy	6.7	7.1
CC(1/2)	0.999	0.796

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	The crystals were obtained after four days in drops mixing equal volumes (1.5 ul) of protein solution (10 mg/ml) and reservoir solution (100 mM Bis-Tris pH 6.0, 2.4 M ammonium sulphate).