8ZTB

Crystal Structure of Active Site Influencing Variant (F218Y) of Imp-1 Metallo-beta-lactamase.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	Cu FINE FOCUS
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-19
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54
Spacegroup name	I 1 2 1
Unit cell lengths	103.418, 49.301, 110.696
Unit cell angles	90.00, 92.35, 90.00

Refinement procedure

Resolution	24.682 - 2.900
Rwork	0.209
R-free	0.27150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.898
Data reduction software	CrysalisPro
Data scaling software	CrysalisPro
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.682	24.670	3.080
High resolution limit [Å]	2.900	8.700	2.900
Rmerge	0.132	0.039	0.547
Rmeas	0.140	0.042	0.590
Rpim	0.047	0.015	0.218
Number of reflections	12578	443	2472
<I/σ(I)>	17.1
Completeness [%]	99.7
Redundancy	16.3	12.5	13.9
CC(1/2)	0.998	0.999	0.974

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	0.2M Sodium Acetate, 0.1M Sodium Citrate, 34% PEG 4000