7I0T

PanDDA analysis group deposition -- Crystal structure of Enterococcus faecium VatD in complex with Z4090027317

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)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	43.889, 102.061, 145.817
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.030 - 2.000
R-factor	0.2205
Rwork	0.218
R-free	0.26560
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]	48.610	48.610	2.050
High resolution limit [Å]	2.000	8.950	2.000
Rmerge	0.083	0.028	2.347
Rmeas	0.090	0.030	2.548
Rpim	0.035	0.012	0.981
Total number of observations	295410	3415	20835
Number of reflections	45080	601	3188
<I/σ(I)>	11.1	41.5	0.8
Completeness [%]	99.7	99.4	98.3
Redundancy	6.6	5.7	6.5
CC(1/2)	0.999	0.999	0.389

Crystallization Conditions

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