7I12

PanDDA analysis group deposition -- Crystal structure of Enterococcus faecium VatD in complex with Z3562614682

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	2024-07-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	43.963, 102.091, 147.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.230 - 1.940
R-factor	0.2263
Rwork	0.224
R-free	0.27160
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS (Jun 30, 2023)
Data scaling software	Aimless (0.7.15)
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]	49.070	49.070	1.930
High resolution limit [Å]	1.890	9.060	1.890
Rmerge	0.088	0.027
Rmeas	0.096	0.029
Rpim	0.038	0.012
Total number of observations	348074	3354	17480
Number of reflections	53621	588	3093
<I/σ(I)>	11.5	51.3
Completeness [%]	99.1	99.5	89.7
Redundancy	6.5	5.7	5.7
CC(1/2)	0.999	0.999	0.830

Crystallization Conditions

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