7I0Q

PanDDA analysis group deposition -- Crystal structure of Enterococcus faecium VatD in complex with PV-006358264279

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	44.042, 102.107, 145.612
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.180 - 1.930
R-factor	0.2392
Rwork	0.237
R-free	0.28590
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]	48.540	48.540	1.980
High resolution limit [Å]	1.930	9.050	1.930
Rmerge	0.141	0.061	3.447
Rmeas	0.154	0.067	3.779
Rpim	0.060	0.027	1.522
Total number of observations	318808	3375	19087
Number of reflections	50262	587	3261
<I/σ(I)>	7.4	25.6	0.6
Completeness [%]	99.8	99.5	98.1
Redundancy	6.3	5.7	5.9
CC(1/2)	0.996	0.996	0.374

Crystallization Conditions

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