8PA8

Crystal structure of the metallo-beta-lactamase VIM1 with 2551

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	2019-01-27
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	39.380, 67.740, 40.270
Unit cell angles	90.00, 93.56, 90.00

Refinement procedure

Resolution	40.190 - 1.320
R-factor	0.1434
Rwork	0.142
R-free	0.16790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.984
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]	40.190	1.350
High resolution limit [Å]	1.320	1.320
Rmerge	0.060	0.607
Rmeas	0.066	0.658
Rpim	0.026	0.252
Number of reflections	48915	3595
<I/σ(I)>	14.8	3.1
Completeness [%]	98.9	98
Redundancy	6.4	6.7
CC(1/2)	0.999	0.856

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