9CV3

Crystal structure of the metallo-beta-lactamase VIM-20 with L-captopril

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2020-12-09
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.000034
Spacegroup name	I 2 2 2
Unit cell lengths	67.845, 77.595, 79.052
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.800 - 1.510
R-factor	0.1932
Rwork	0.192
R-free	0.21170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.148
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.800	1.560
High resolution limit [Å]	1.510	1.510
Number of reflections	126069	2037
<I/σ(I)>	17.1	3
Completeness [%]	99.4	99.65
Redundancy	6.9	6.19
CC(1/2)	0.918	0.683

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2 M Ammonium Acetate, 0.1 M Bis-Tris:HCl, 25% (w/v) PEG 3350