7I0N

PanDDA analysis group deposition -- Crystal structure of Enterococcus faecium VatD in complex with Z2440817672

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)	1.11598
Spacegroup name	P 21 21 21
Unit cell lengths	43.727, 101.410, 144.994
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.860 - 2.260
R-factor	0.2367
Rwork	0.233
R-free	0.30740
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]	48.330	48.330	2.330
High resolution limit [Å]	2.260	9.040	2.260
Rmerge	0.259	0.049	4.685
Rmeas	0.281	0.053	5.069
Rpim	0.109	0.021	1.919
Total number of observations	204326	3463	19051
Number of reflections	31111	575	2799
<I/σ(I)>	6	30.1	0.5
Completeness [%]	99.9	99.6	99.9
Redundancy	6.6	6	6.8
CC(1/2)	0.994	0.997	0.260

Crystallization Conditions

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