11CI

Staphylococcus aureus-specific lysin L1-3 (LysM-CHAP) covalently complexed to Pep1a-CMK substrate mimic

This is a non-PDB format compatible entry.

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	2024-12-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97625
Spacegroup name	C 2 2 21
Unit cell lengths	66.994, 135.046, 57.626
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.010 - 2.830
R-factor	0.25698
Rwork	0.256
R-free	0.27763
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.711
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.030	2.900
High resolution limit [Å]	2.830	2.830
Rmerge	0.335	1.517
Rpim	0.194	1.755
Number of reflections	6204	481
<I/σ(I)>	4.8	1.4
Completeness [%]	99.8
Redundancy	7.2
CC(1/2)	0.971	0.571

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	25% PEG MME 5000, 0.1 M TRIS pH 8.5, 0.2 M lithium sulfate