7I0O

PanDDA analysis group deposition -- Crystal structure of Enterococcus faecium VatD in complex with Z747549372

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)	1.11584
Spacegroup name	P 21 21 21
Unit cell lengths	44.240, 102.073, 146.978
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.210 - 1.980
R-factor	0.2646
Rwork	0.262
R-free	0.30660
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]	48.990	48.990	2.030
High resolution limit [Å]	1.980	9.070	1.980
Rmerge	0.189	0.039	4.124
Rmeas	0.206	0.043	4.477
Rpim	0.082	0.017	1.727
Total number of observations	300614	3548	21391
Number of reflections	47252	588	3275
<I/σ(I)>	7.4	36.4	0.4
Completeness [%]	99.7	99.6	99.5
Redundancy	6.4	6	6.5
CC(1/2)	0.994	0.998	0.173

Crystallization Conditions

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