8PG8

Crystal structure of the metallo-beta-lactamase VIM1 with 2816

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	293
Detector technology	PIXEL
Collection date	2019-09-16
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	DECTRIS EIGER2 XE 16M
Spacegroup name	P 1 21 1
Unit cell lengths	39.520, 67.970, 40.340
Unit cell angles	90.00, 93.28, 90.00

Refinement procedure

Resolution	27.410 - 1.280
R-factor	0.117
Rwork	0.116
R-free	0.14080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.664
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]	27.410	1.310
High resolution limit [Å]	1.280	1.280
Rmerge	0.056	0.278
Rmeas	0.061	0.312
Rpim	0.024	0.136
Number of reflections	52848	3624
<I/σ(I)>	21.1	8.6
Completeness [%]	96.7	89.6
Redundancy	6.4	5.1
CC(1/2)	0.998	0.926

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