8PGC

Crystal structure of the metallo-beta-lactamase VIM1 with 2868

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-20
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.979338
Spacegroup name	P 1 21 1
Unit cell lengths	39.531, 68.282, 40.302
Unit cell angles	90.00, 93.96, 90.00

Refinement procedure

Resolution	34.650 - 1.300
R-factor	0.132
Rwork	0.131
R-free	0.14590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.198
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]	34.650	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.050	0.381
Rmeas	0.054	0.469
Rpim	0.021	0.264
Number of reflections	49217	1400
<I/σ(I)>	17.9	2.3
Completeness [%]	93.7	54.2
Redundancy	6.2	2.9
CC(1/2)	0.999	0.825

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