8PGW

Crystal structure of the metallo-beta-lactamase VIM1 with 3460

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	2020-07-16
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.81564
Spacegroup name	P 1 21 1
Unit cell lengths	39.430, 68.040, 40.340
Unit cell angles	90.00, 93.53, 90.00

Refinement procedure

Resolution	40.260 - 1.500
R-factor	0.152
Rwork	0.151
R-free	0.17820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.930
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]	40.260	1.540
High resolution limit [Å]	1.500	1.500
Rmerge	0.083	0.771
Rmeas	0.090	0.833
Rpim	0.034	0.313
Number of reflections	34097	2511
<I/σ(I)>	13.1	2.4
Completeness [%]	100.0	100
Redundancy	7	7
CC(1/2)	0.999	0.789

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	ammonium