8APP

AbLys1 endolysin from Acinetobacter baumannii phage AbTZA1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.8266
Spacegroup name	P 1 21 1
Unit cell lengths	41.653, 184.777, 57.904
Unit cell angles	90.00, 110.69, 90.00

Refinement procedure

Resolution	40.680 - 1.820
R-factor	0.2126
Rwork	0.211
R-free	0.25240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold model
RMSD bond length	0.008
RMSD bond angle	0.940
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.730	1.880
High resolution limit [Å]	1.820	1.820
Rmeas	0.078	1.276
Rpim	0.042	0.894
Number of reflections	70067	4406
<I/σ(I)>	12.5
Completeness [%]	96.2	61.6
Redundancy	6.6	3.2
CC(1/2)	0.999	0.424

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	289	0.1 M Phosphate/citrate, 0.2 M lithium sulphate, pH 4.2, 20% w/v PEG 1000