8P9Q

Crystal structure of the metallo-beta-lactamase VIM1 with 2455

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	2019-02-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	39.650, 67.880, 40.300
Unit cell angles	90.00, 93.18, 90.00

Refinement procedure

Resolution	34.610 - 1.080
R-factor	0.1273
Rwork	0.127
R-free	0.13960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.200
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]	34.610	1.110
High resolution limit [Å]	1.080	1.080
Rmerge	0.043	0.361
Rmeas	0.047	0.423
Rpim	0.018	0.216
Number of reflections	88451	5091
<I/σ(I)>	17.9	2.7
Completeness [%]	97.1
Redundancy	97.1
CC(1/2)	0.999	0.874

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