7I0U

PanDDA analysis group deposition -- Crystal structure of Enterococcus faecium VatD in complex with Z798857536

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	43.850, 101.879, 146.029
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.100 - 2.370
R-factor	0.2147
Rwork	0.211
R-free	0.28400
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]	48.100	48.100	2.460
High resolution limit [Å]	2.370	8.870	2.370
Rmerge	0.171	0.038	2.859
Rmeas	0.186	0.042	3.091
Rpim	0.071	0.017	1.162
Total number of observations	179741	3513	19268
Number of reflections	27141	608	2827
<I/σ(I)>	8.1	34.9	0.6
Completeness [%]	99.1	99.3	99.4
Redundancy	6.6	5.8	6.8
CC(1/2)	0.997	0.998	0.199

Crystallization Conditions

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