8P9S

Crystal structure of the metallo-beta-lactamase VIM1 with 2482

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	2018-11-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.071800
Spacegroup name	P 1 21 1
Unit cell lengths	39.652, 67.949, 40.398
Unit cell angles	90.00, 93.46, 90.00

Refinement procedure

Resolution	40.320 - 1.200
R-factor	0.121
Rwork	0.120
R-free	0.13680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.606
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.320	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.048	0.127
Rmeas	0.048	0.163
Rpim	0.025	0.069
Number of reflections	60761	1738
<I/σ(I)>	28.5	9.3
Completeness [%]	91.1	52.9
Redundancy	6.5	5.2
CC(1/2)	0.998	0.982

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