8VDK

Crystal Structure of LPXTG-motif Cell Wall Anchor Domain Protein MSCRAMM_SdrD from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	43.054, 72.825, 148.453
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.330 - 1.800
R-factor	0.18
Rwork	0.178
R-free	0.21090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.656
Data reduction software	XDS
Data scaling software	XDS
Phasing software	HKL-3000
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.330	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.085	0.791
Rmeas	0.092	0.824
Rpim	0.025	0.228
Number of reflections	44004	3111
<I/σ(I)>	17	2.9
Completeness [%]	99.8	98
Redundancy	13.4	12.7
CC(1/2)	0.999	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	0.16 M magnesium chloride, 0.08 TrisHCl pH8.5, 24 %(w/v) PEG4000, 20 % (v/v) glycerol