8P93

Crystal structure of the metallo-beta-lactamase VIM1 with 2163

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)	0.91587
Spacegroup name	P 1 21 1
Unit cell lengths	39.430, 67.670, 40.150
Unit cell angles	90.00, 93.42, 90.00

Refinement procedure

Resolution	34.480 - 1.130
R-factor	0.129
Rwork	0.128
R-free	0.14150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.022
RMSD bond angle	1.728
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]	34.480	1.160
High resolution limit [Å]	1.130	1.130
Rmerge	0.056	0.682
Rmeas	0.060	0.741
Rpim	0.023	0.287
Number of reflections	77979	5673
<I/σ(I)>	14.5	2.4
Completeness [%]	99.2	97.7
Redundancy	6.6	6.5
CC(1/2)	0.999	0.824

Crystallization Conditions

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