7CHV

Metallo-Beta-Lactamase VIM-2 in complex with 1-benzyl-1H-imidazole-2-carboxylic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	195
Detector technology	PIXEL
Collection date	2019-05-09
Detector	DECTRIS PILATUS3 X CdTe 1M
Wavelength(s)	1.0000
Spacegroup name	I 2 2 2
Unit cell lengths	68.655, 78.891, 79.808
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.327 - 2.174
R-factor	0.2566
Rwork	0.245
R-free	0.36350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jn6
RMSD bond length	0.021
RMSD bond angle	1.276
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX (1.10.1-2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.170	5.970	2.200
Rmerge	0.226	0.146	1.001
Rmeas	0.240	0.157	1.067
Rpim	0.078	0.056	0.364
Number of reflections	11610	638	569
<I/σ(I)>	3.7
Completeness [%]	99.9	99.4	99.8
Redundancy	10	9.1	8.2
CC(1/2)		0.895	0.564

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	28%-35%PEG3350, 0.1M Mg(COOH)2