8PGM

Crystal structure of the metallo-beta-lactamase VIM1 with 3062

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	2019-11-23
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97950
Spacegroup name	P 1 21 1
Unit cell lengths	39.420, 67.830, 40.080
Unit cell angles	90.00, 93.28, 90.00

Refinement procedure

Resolution	28.900 - 1.270
R-factor	0.1295
Rwork	0.128
R-free	0.15580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.503
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]	34.040	1.300
High resolution limit [Å]	1.270	1.270
Rmerge	0.050	0.869
Rmeas	0.055	0.959
Rpim	0.021	0.395
Number of reflections	54022	3620
<I/σ(I)>	16.2	1.8
Completeness [%]	97.4	89.5
Redundancy	6.8	5.6
CC(1/2)	0.999	0.708

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