8PG9

Crystal structure of the metallo-beta-lactamase VIM1 with 2817

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	2019-06-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91587
Spacegroup name	P 1 21 1
Unit cell lengths	39.500, 67.960, 40.290
Unit cell angles	90.00, 93.53, 90.00

Refinement procedure

Resolution	40.210 - 1.290
R-factor	0.1362
Rwork	0.135
R-free	0.16000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.152
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]	40.210	1.320
High resolution limit [Å]	1.290	1.290
Rmerge	0.076	0.705
Rmeas	0.082	0.763
Rpim	0.031	0.290
Number of reflections	53415	3936
<I/σ(I)>	12.6	2.3
Completeness [%]	100.0
Redundancy	6.8
CC(1/2)	0.999	0.816

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