7I0P

PanDDA analysis group deposition -- Crystal structure of Enterococcus faecium VatD in complex with Z287010572

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.11583
Spacegroup name	P 21 21 21
Unit cell lengths	43.904, 101.728, 146.025
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.030 - 2.270
R-factor	0.218
Rwork	0.215
R-free	0.27810
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	2.340
High resolution limit [Å]	2.270	9.080	2.270
Rmerge	0.229	0.037	3.113
Rmeas	0.249	0.040	3.384
Rpim	0.096	0.016	1.310
Total number of observations	206543	3467	18366
Number of reflections	31106	577	2803
<I/σ(I)>	7.3	37.1	0.6
Completeness [%]	99.8	99.5	99.5
Redundancy	6.6	6	6.6
CC(1/2)	0.994	0.999	0.228

Crystallization Conditions

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