8PAO

Crystal structure of the metallo-beta-lactamase VIM1 with 2654

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	2019-04-06
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.976254
Spacegroup name	P 1 21 1
Unit cell lengths	39.433, 67.883, 40.202
Unit cell angles	90.00, 93.29, 90.00

Refinement procedure

Resolution	34.550 - 1.400
R-factor	0.1357
Rwork	0.134
R-free	0.16360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.896
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]	34.550	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.056	0.650
Rmeas	0.061
Rpim	0.023	0.706
Number of reflections	41660	2024
<I/σ(I)>	16.1	2.5
Completeness [%]	99.7	98.1
Redundancy	6.7	6.5
CC(1/2)	0.999	0.779

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