7I0R

PanDDA analysis group deposition -- Crystal structure of Enterococcus faecium VatD in complex with Z1263798799

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	43.980, 101.687, 146.479
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.020 - 1.730
R-factor	0.2255
Rwork	0.224
R-free	0.26060
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]	48.830	48.830	1.760
High resolution limit [Å]	1.730	8.990	1.730
Rmerge	0.043	0.019	2.290
Rmeas	0.047	0.020	2.479
Rpim	0.018	0.008	0.937
Total number of observations	463380	3368	25888
Number of reflections	69087	590	3791
<I/σ(I)>	19.7	69.8	0.7
Completeness [%]	99.3	99.4	99.6
Redundancy	6.7	5.7	6.8
CC(1/2)	1.000	1.000	0.335

Crystallization Conditions

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