6LJ3

full length ASFV dUTPase in complex with alpha,beta-iminodUTP and magnesium ion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-10-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	68.040, 68.427, 117.969
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.240 - 2.000
R-factor	0.1738
Rwork	0.171
R-free	0.23460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lis
RMSD bond length	0.009
RMSD bond angle	1.604
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.190	2.070
High resolution limit [Å]	1.960	1.960
Rmerge		0.830
Rmeas		0.965
Rpim		0.322
Number of reflections	34696	1166
<I/σ(I)>	1.86
Completeness [%]	85.0
Redundancy	11.3	6.6
CC(1/2)	1.000	0.698

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293	0.2 M sodium citrate, 0.1 m, 24% (w/v) PEG 3350