10PS

Crystal structure of SdrD A2-A3-B1-B2 domains from Staphylococcus aureus JH1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-09-23
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	59.190, 58.570, 94.400
Unit cell angles	90.00, 101.35, 90.00

Refinement procedure

Resolution	27.100 - 2.000
R-factor	0.2096
Rwork	0.208
R-free	0.23540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.453
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.200	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.120	1.010
Rpim	0.076	0.876
Number of reflections	42903	2157
<I/σ(I)>	8.4	1.2
Completeness [%]	99.6	99.8
Redundancy	3.4	3.2
CC(1/2)	0.995	0.645

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	0.1 M Tris-HCl and 20% (w/v) PEG 2000 MME