7A60

Crystal structure of VIM-2 with hydrolyzed faropenem (ring-open form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-12
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.88
Spacegroup name	C 1 2 1
Unit cell lengths	102.179, 79.380, 67.332
Unit cell angles	90.00, 130.38, 90.00

Refinement procedure

Resolution	51.340 - 1.470
R-factor	0.1638
Rwork	0.163
R-free	0.18870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bz3
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.340	1.500
High resolution limit [Å]	1.470	1.470
Rpim	0.039	0.699
Number of reflections	68197	3241
<I/σ(I)>	9.2	1.1
Completeness [%]	98.1
Redundancy	7
CC(1/2)	0.991	0.469

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	28% PEG3350, 0.1M Mg(HCO2)2