9RFG

Crystal structure of the metallo-beta-lactamase VIM-1 with 1476

This is a non-PDB format compatible entry.

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	2025-03-31
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.78380
Spacegroup name	P 1 21 1
Unit cell lengths	39.338, 67.652, 40.147
Unit cell angles	90.00, 93.35, 90.00

Refinement procedure

Resolution	40.080 - 1.150
R-factor	0.1382
Rwork	0.137
R-free	0.16600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.150
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.650	1.170
High resolution limit [Å]	1.150	1.150
Rmerge	0.088	0.879
Rmeas	0.095	0.954
Rpim	0.036	0.368
Total number of observations	516365	24921
Number of reflections	74417	3784
<I/σ(I)>	10	1.7
Completeness [%]	100.0
Redundancy	6.9	6.6
CC(1/2)	0.999	0.771

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	2.5M ammonium phosphate, 0.1M Tris, pH 8.5