8PGB

Crystal structure of the metallo-beta-lactamase VIM1 with 2850

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	2019-07-20
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.979330
Spacegroup name	P 1 21 1
Unit cell lengths	39.550, 68.126, 40.335
Unit cell angles	90.00, 93.62, 90.00

Refinement procedure

Resolution	34.660 - 1.340
R-factor	0.1287
Rwork	0.127
R-free	0.15450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.213
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]	40.250	1.360
High resolution limit [Å]	1.340	1.340
Rmerge	0.057	0.531
Rmeas	0.062	0.602
Rpim	0.024	0.275
Number of reflections	45701	1420
<I/σ(I)>	15.2	2.6
Completeness [%]	95.4	60
Redundancy	6.5	4.5
CC(1/2)	0.999	0.724

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