7I0Z

PanDDA analysis group deposition -- Crystal structure of Enterococcus faecium VatD in complex with Z1500734581

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	43.962, 102.011, 146.847
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.130 - 1.870
R-factor	0.2294
Rwork	0.228
R-free	0.26010
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]	48.180	48.180	1.910
High resolution limit [Å]	1.870	8.970	1.870
Rmerge	0.059	0.027	6.485
Rmeas	0.064	0.030	7.027
Rpim	0.025	0.012	2.670
Total number of observations	371386	3533	23818
Number of reflections	55442	602	3552
<I/σ(I)>	14.9	49.9	0.3
Completeness [%]	99.7	99.6	99.3
Redundancy	6.7	5.9	6.7
CC(1/2)	0.999	0.999	0.347

Crystallization Conditions

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