25QC

Crystal structure of Pseudomonas phage YuA Pplase2 in complex with 5hmdU-DNA and glycine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL18U
Synchrotron site	NFPSS
Beamline	BL18U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-07
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9785
Spacegroup name	C 2 2 21
Unit cell lengths	78.489, 200.199, 43.419
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.940 - 2.200
R-factor	0.1716
Rwork	0.169
R-free	0.22610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.914
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.108	0.063	0.847
Rmeas	0.113	0.066	0.894
Rpim	0.032	0.020	0.275
Total number of observations	218365
Number of reflections	17910	1947	1612
<I/σ(I)>	5.1
Completeness [%]	98.9	99.9	91.6
Redundancy	12.2	11.8	9.5
CC(1/2)	0.978	0.991	0.778

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293.15	0.1% (w/v) n-Octyl-beta-D-glucoside, 0.1 M Sodium citrate tribasic dihydrate pH 5.5, 22% (w/v) PEG 3,350.