9LN3

A thermostable enzyme dUTPase P45

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-31
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	I 2 3
Unit cell lengths	99.040, 99.040, 99.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.470 - 2.200
R-factor	0.257
Rwork	0.255
R-free	0.30880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.638
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Number of reflections	8395	421
<I/σ(I)>	93.3
Completeness [%]	99.8
Redundancy	38.3
CC(1/2)	0.999	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	8% TacsimateTM (pH 8.0) , 20% polyethylene glycol 3350