8P92

Crystal structure of the metallo-beta-lactamase VIM1 with 2117

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-23
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9159
Spacegroup name	P 1 21 1
Unit cell lengths	39.450, 67.820, 40.110
Unit cell angles	90.00, 93.20, 90.00

Refinement procedure

Resolution	28.900 - 1.040
R-factor	0.1307
Rwork	0.130
R-free	0.15000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.415
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.060	1.070
High resolution limit [Å]	1.040	1.040
Rmerge	0.080	0.495
Rmeas	0.087	0.554
Rpim	0.034	0.245
Number of reflections	100848	7425
<I/σ(I)>	11.9	2.7
Completeness [%]	99.9
Redundancy	6.3
CC(1/2)	0.997	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	2.2M ammonium phosphate 0.1M TrisHCl, pH 8.5