8P9T

Crystal structure of the metallo-beta-lactamase VIM1 with 2483

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	2018-11-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.07180
Spacegroup name	P 1 21 1
Unit cell lengths	39.535, 67.890, 40.326
Unit cell angles	90.00, 93.45, 90.00

Refinement procedure

Resolution	34.120 - 1.200
R-factor	0.1131
Rwork	0.112
R-free	0.12740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.546
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]	39.460	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.047	0.121
Rmeas	0.051	0.141
Rpim	0.020	0.071
Number of reflections	64093	2359
<I/σ(I)>	28	8.8
Completeness [%]	96.5	72.1
Redundancy	6.1	3.6
CC(1/2)	0.999	0.980

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