8P95

Crystal structure of the metallo-beta-lactamase VIM1 with 2407

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	2018-10-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97624
Spacegroup name	P 1 21 1
Unit cell lengths	39.520, 68.030, 40.270
Unit cell angles	90.00, 93.55, 90.00

Refinement procedure

Resolution	39.440 - 1.090
R-factor	0.1208
Rwork	0.120
R-free	0.13640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.021
RMSD bond angle	1.680
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]	39.440	1.120
High resolution limit [Å]	1.090	1.090
Rmerge	0.058	0.424
Rmeas	0.063	0.492
Rpim	0.025	0.241
Number of reflections	86313	5402
<I/σ(I)>	15	3.2
Completeness [%]	97.6
Redundancy	6.2
CC(1/2)	0.999	0.824

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