9GX8

Crystal structure of CIM-2, a membrane-bound B1 metallo-beta-lactamase from Chryseobacterium indologenes

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	2024-02-03
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	1.27021
Spacegroup name	C 1 2 1
Unit cell lengths	164.287, 43.131, 75.691
Unit cell angles	90.00, 115.96, 90.00

Refinement procedure

Resolution	41.760 - 1.560
R-factor	0.1687
Rwork	0.168
R-free	0.19460
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.783
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	CRANK2
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.860	1.590
High resolution limit [Å]	1.560	1.560
Rpim	0.044	1.053
Number of reflections	67879	3287
<I/σ(I)>	12	0.5
Completeness [%]	99.2	96.5
Redundancy	6.7
CC(1/2)	0.998	0.283

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292.15	0.1M Tris/Bicine pH8.5, 0.12 M (1,6-Hexanediol, 1-Butanol, 1,2-Propanediol, 2-Propanol, 1,4-Butanediol, 1,3-Propanediol), 37.5% (MPD, PEG1000, Peg3350)