7I0V

PanDDA analysis group deposition -- Crystal structure of Enterococcus faecium VatD in complex with Z1441867474

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	43.874, 102.005, 146.847
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.040 - 2.020
R-factor	0.2222
Rwork	0.220
R-free	0.26240
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]	48.950	48.950	2.070
High resolution limit [Å]	2.020	9.030	2.020
Rmerge	0.096	0.039	2.230
Rmeas	0.104	0.043	2.422
Rpim	0.040	0.018	0.934
Total number of observations	292337	3299	21323
Number of reflections	44202	587	3226
<I/σ(I)>	10.5	36.5	0.8
Completeness [%]	99.9	99.3	100
Redundancy	6.6	5.6	6.6
CC(1/2)	0.999	0.999	0.349

Crystallization Conditions

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