8PGI

Crystal structure of the metallo-beta-lactamase VIM1 with 2984

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-24
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.979499
Spacegroup name	P 1 21 1
Unit cell lengths	39.318, 67.975, 40.204
Unit cell angles	90.00, 93.78, 90.00

Refinement procedure

Resolution	40.120 - 1.400
R-factor	0.1557
Rwork	0.154
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.228
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]	40.120	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.051	0.928
Rmeas	0.056	1.016
Rpim	0.021	0.407
Number of reflections	41552	1982
<I/σ(I)>	17.5	1.9
Completeness [%]	99.8	97.1
Redundancy	6.7	6
CC(1/2)	1.000	0.747

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