11CG

CHAP domain of Staphylococcus aureus-specific lysin L2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.95372
Spacegroup name	C 2 2 21
Unit cell lengths	50.990, 71.660, 85.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.040 - 1.150
R-factor	0.21474
Rwork	0.214
R-free	0.22664
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.949
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]	33.040	1.180
High resolution limit [Å]	1.150	1.150
Rmerge	0.040	0.496
Rpim	0.025	0.403
Number of reflections	52726	3989
<I/σ(I)>	19.9	2.2
Completeness [%]	99.6
Redundancy	6.9
CC(1/2)	0.998	0.791

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	18% PEG 3350, 0.2 M potassium thiocyanate