7TJ4

Structure of the S. aureus amidase LytH and activator ActH extracellular domains

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033
Spacegroup name	P 2 21 21
Unit cell lengths	44.600, 71.260, 190.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.390 - 1.800
R-factor	0.1875
Rwork	0.186
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rn7
RMSD bond length	0.014
RMSD bond angle	1.250
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX (1.19.2-4158-000)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.390	47.390	1.910
High resolution limit [Å]	1.800	5.370	1.800
Rmerge	0.142	0.053	3.542
Rmeas	0.147	0.056	3.687
Number of reflections	55848	2364	8653
<I/σ(I)>	12	38.82	0.93
Completeness [%]	97.1	98.3	94.8
Redundancy	13.106	11.843	12.917
CC(1/2)	0.998	0.998	0.587

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.3	293	0.1 M ammonium nitrate, 22% (w/v) PEG 3350