8Z2M

Crystal structure of 5-phosphomethyl-2'-deoxyuridine (5-PmdU) glycinyltransferase gp46/PUGT from Pseudomonads phage PaMx11

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	2022-01-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97852
Spacegroup name	P 64
Unit cell lengths	77.126, 77.126, 86.385
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.420 - 2.000
R-factor	0.1729
Rwork	0.172
R-free	0.19670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.795
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.21rc1_5156)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.139	1.218
Rmeas	0.142	1.249
Rpim	0.031	0.278
Number of reflections	19819	2883
<I/σ(I)>	20.7	3
Completeness [%]	99.9	99.9
Redundancy	20.3	19.9
CC(1/2)	0.999	0.823

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Sodium chloride, 0.1 M HEPES pH 7.5, 1.6 M Ammonium sulfate