9HTU

Structure of endolysin PlyP100 catalytic domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-01
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	37.306, 65.864, 96.512
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.300 - 1.800
R-factor	0.15317
Rwork	0.152
R-free	0.18268
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.722
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	96.510	1.840
High resolution limit [Å]	1.800	1.800
Number of reflections	22719	1239
<I/σ(I)>	10.8
Completeness [%]	99.6
Redundancy	12
CC(1/2)	0.978	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M sodium sulfate, 20 % PEG3350