8PGF

Crystal structure of the metallo-beta-lactamase VIM1 with 2941

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	39.497, 67.627, 40.267
Unit cell angles	90.00, 93.53, 90.00

Refinement procedure

Resolution	29.050 - 1.200
R-factor	0.1174
Rwork	0.117
R-free	0.13620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.022
RMSD bond angle	1.640
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]	29.050	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.029	0.178
Rmeas	0.032	0.213
Rpim	0.012	0.115
Number of reflections	62636	2067
<I/σ(I)>	35.7	5.5
Completeness [%]	94.9	63.2
Redundancy	6.4	3.1
CC(1/2)	0.999	0.961

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