7I10

PanDDA analysis group deposition -- Crystal structure of Enterococcus faecium VatD in complex with Z295930154

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)	1.03317
Spacegroup name	P 21 21 21
Unit cell lengths	43.873, 101.897, 145.885
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.100 - 1.840
R-factor	0.248
Rwork	0.245
R-free	0.30490
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]	48.630	48.630	1.880
High resolution limit [Å]	1.840	9.030	1.840
Rmerge	0.149	0.046	4.225
Rmeas	0.163	0.051	4.580
Rpim	0.063	0.021	1.746
Total number of observations	378394	3344	22612
Number of reflections	57370	587	3440
<I/σ(I)>	8.3	32.9	0.4
Completeness [%]	99.8	99.5	98.7
Redundancy	6.6	5.7	6.6
CC(1/2)	0.997	0.997	0.270

Crystallization Conditions

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