8PH0

Crystal structure of the metallo-beta-lactamase VIM1 with 3637

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	2021-04-27
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.81532
Spacegroup name	P 1 21 1
Unit cell lengths	39.460, 68.020, 40.290
Unit cell angles	90.00, 93.45, 90.00

Refinement procedure

Resolution	34.620 - 1.360
R-factor	0.1454
Rwork	0.144
R-free	0.17620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.102
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]	39.390	1.400
High resolution limit [Å]	1.360	1.360
Rmerge	0.046	0.682
Rmeas	0.050
Rpim	0.020	0.295
Number of reflections	45530	3347
<I/σ(I)>	16.4	2.4
Completeness [%]	99.8	99.9
Redundancy	5.8	6.3
CC(1/2)	1.000	0.808

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