8P8Z

Crystal structure of the metallo-beta-lactamase VIM1 with 1963

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-23
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.915870
Spacegroup name	P 1 21 1
Unit cell lengths	39.444, 67.805, 40.174
Unit cell angles	90.00, 93.58, 90.00

Refinement procedure

Resolution	34.510 - 1.200
R-factor	0.1264
Rwork	0.126
R-free	0.14190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.478
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]	40.100	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.054	0.377
Rmeas		0.409
Rpim	0.022	0.158
Number of reflections	64898	3061
<I/σ(I)>	19.4	4.5
Completeness [%]	97.5
Redundancy	6.8
CC(1/2)	0.999	0.936

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	2.2M ammonium phosphate 0.1M Tris HCl, pH 8.5