7I11

PanDDA analysis group deposition -- Crystal structure of Enterococcus faecium VatD in complex with Z1152041263

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	2024-07-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	43.893, 101.753, 145.893
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.040 - 1.840
R-factor	0.2251
Rwork	0.223
R-free	0.26550
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]	48.630	48.630	1.880
High resolution limit [Å]	1.840	9.010	1.840
Rmerge	0.056	0.023	2.146
Rmeas	0.061	0.026	2.325
Rpim	0.023	0.010	0.885
Total number of observations	381176	3341	23525
Number of reflections	57128	589	3484
<I/σ(I)>	14.9	49.2	0.7
Completeness [%]	99.1	99.6	99.8
Redundancy	6.7	5.7	6.8
CC(1/2)	0.999	1.000	0.354

Crystallization Conditions

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