8PGR

Crystal structure of the metallo-beta-lactamase VIM1 with 3270

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-20
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97950
Spacegroup name	P 1 21 1
Unit cell lengths	39.520, 67.860, 40.240
Unit cell angles	90.00, 93.63, 90.00

Refinement procedure

Resolution	34.100 - 1.220
R-factor	0.1123
Rwork	0.111
R-free	0.13310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.689
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]	39.440	1.250
High resolution limit [Å]	1.220	1.220
Rmerge	0.037	0.130
Rmeas	0.041	0.147
Rpim	0.016	0.067
Number of reflections	60878	3257
<I/σ(I)>	26.3	7.7
Completeness [%]	96.7	70.3
Redundancy	6.5	4.4
CC(1/2)	0.999	0.981

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