9LN0

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 PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	I 2 3
Unit cell lengths	98.646, 98.646, 98.646
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.880 - 2.200
R-factor	0.205
Rwork	0.203
R-free	0.25820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.255
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	2.140
High resolution limit [Å]	2.100	2.100
Number of reflections	9450	453
<I/σ(I)>	24.9
Completeness [%]	100.0
Redundancy	3.9
CC(1/2)	0.999	0.877

Crystallization Conditions

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