7I0S

PanDDA analysis group deposition -- Crystal structure of Enterococcus faecium VatD in complex with Z2046612904

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	43.739, 101.588, 145.358
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.730 - 1.880
R-factor	0.2202
Rwork	0.218
R-free	0.25670
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]	48.450	48.450	1.920
High resolution limit [Å]	1.880	9.020	1.880
Rmerge	0.067	0.027	2.189
Rmeas	0.073	0.029	2.371
Rpim	0.028	0.012	0.903
Total number of observations	353048	3303	23110
Number of reflections	53691	587	3418
<I/σ(I)>	13.5	48.1	0.8
Completeness [%]	99.9	99.5	100
Redundancy	6.6	5.6	6.8
CC(1/2)	0.999	0.999	0.337

Crystallization Conditions

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