7I0M

PanDDA analysis group deposition -- Crystal structure of Enterococcus faecium VatD in complex with Z1302549938

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)	1.11596
Spacegroup name	P 21 21 21
Unit cell lengths	43.918, 101.668, 146.427
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.020 - 1.850
R-factor	0.2418
Rwork	0.239
R-free	0.28990
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]	48.810	48.810	1.890
High resolution limit [Å]	1.850	9.060	1.850
Rmerge	0.262	0.116	3.382
Rmeas	0.285	0.128	3.659
Rpim	0.112	0.051	1.387
Total number of observations	368107	3487	23591
Number of reflections	56639	583	3472
<I/σ(I)>	4.6	15.7	0.4
Completeness [%]	99.3	99.5	100
Redundancy	6.5	6	6.8
CC(1/2)	0.985	0.984	0.326

Crystallization Conditions

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