7I0W

PanDDA analysis group deposition -- Crystal structure of Enterococcus faecium VatD in complex with Z5440841580

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	43.940, 102.401, 146.486
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.070 - 2.090
R-factor	0.2182
Rwork	0.215
R-free	0.27110
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]	48.830	48.830	2.140
High resolution limit [Å]	2.090	9.090	2.090
Rmerge	0.074	0.029	2.033
Rmeas	0.081	0.032	2.207
Rpim	0.032	0.013	0.849
Total number of observations	262229	3449	19812
Number of reflections	40194	585	2996
<I/σ(I)>	12.7	43.1	0.8
Completeness [%]	99.6	99.6	96.7
Redundancy	6.5	5.9	6.6
CC(1/2)	0.999	0.999	0.320

Crystallization Conditions

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