8PGG

Crystal structure of the metallo-beta-lactamase VIM1 with 2954

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)	0.97950
Spacegroup name	P 1 21 1
Unit cell lengths	38.670, 67.150, 39.820
Unit cell angles	90.00, 90.29, 90.00

Refinement procedure

Resolution	39.820 - 1.200
R-factor	0.1224
Rwork	0.121
R-free	0.15160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.358
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]	39.820	1.230
High resolution limit [Å]	1.200	1.200
Rmerge	0.035	0.525
Rmeas	0.038	0.602
Rpim	0.015	0.393
Number of reflections	61022	3230
<I/σ(I)>	20.1	2.1
Completeness [%]	96.1	69.4
Redundancy	6.3	3.7
CC(1/2)	1.000	0.807

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