11CH

CHAP domain of Staphylococcus aureus-specific lysin L1 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 P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-01
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.97625
Spacegroup name	P 42 21 2
Unit cell lengths	66.800, 66.800, 67.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.230 - 1.090
R-factor	0.23187
Rwork	0.231
R-free	0.25184
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.974
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]	47.230	1.120
High resolution limit [Å]	1.090	1.090
Rmerge	0.072	1.754
Rpim	0.028	1.113
Number of reflections	60212	4128
<I/σ(I)>	13.8	0.8
Completeness [%]	99.0
Redundancy	12.6
CC(1/2)	0.999	0.365

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2.4 M sodium chloride, 0.1 M sodium citrate pH 6.0