7I0X

PanDDA analysis group deposition -- Crystal structure of Enterococcus faecium VatD in complex with Z2301759489

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	43.971, 102.127, 146.006
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.200 - 1.880
R-factor	0.2264
Rwork	0.224
R-free	0.26450
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]	48.670	48.670	1.920
High resolution limit [Å]	1.880	9.020	1.880
Rmerge	0.083	0.049	2.027
Rmeas	0.090	0.054	2.191
Rpim	0.035	0.021	0.826
Total number of observations	364575	3422	24064
Number of reflections	54517	589	3480
<I/σ(I)>	10.4	29.7	0.7
Completeness [%]	99.9	99.6	100
Redundancy	6.7	5.8	6.9
CC(1/2)	0.998	0.998	0.378

Crystallization Conditions

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