6LJJ

Swine dUTPase in complex with alpha,beta-iminodUTP and magnesium ion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-11-24
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	F 41 3 2
Unit cell lengths	162.386, 162.386, 162.386
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.460 - 1.890
R-factor	0.1983
Rwork	0.197
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6LIW
RMSD bond length	0.011
RMSD bond angle	1.661
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.010	1.910
High resolution limit [Å]	1.885	1.885
Rmerge	0.097	0.788
Rmeas	0.098	0.788
Rpim	0.012	0.092
Number of reflections	19159	770
<I/σ(I)>	6
Completeness [%]	99.5	100
Redundancy	10	7.78
CC(1/2)		0.977

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.9	293	0.2 M Magnesium Formate pH 5.9, 20% (w/v) PEG 3350