7I0Y

PanDDA analysis group deposition -- Crystal structure of Enterococcus faecium VatD in complex with Z790365490

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03317
Spacegroup name	P 21 21 21
Unit cell lengths	44.181, 102.433, 147.101
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.230 - 1.840
R-factor	0.2346
Rwork	0.232
R-free	0.27370
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS (Jun 30, 2023)
Data scaling software	Aimless (0.7.13)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.370	48.370	1.880
High resolution limit [Å]	1.840	9.020	1.840
Rmerge	0.093	0.058	2.769
Rmeas	0.101	0.063	3.006
Rpim	0.039	0.026	1.156
Total number of observations	386666	3527	23005
Number of reflections	58171	595	3474
<I/σ(I)>	9.5	27.1	0.5
Completeness [%]	99.0	99.5	97.9
Redundancy	6.6	5.9	6.6
CC(1/2)	0.997	0.996	0.246

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	292	100 mM TRIS, 25% PEG 1000