9OR7

X-ray diffraction structure of CTX-M-14 beta-lactamase soaked with avibactam

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2025-05-13
Detector	RIGAKU
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	45.290, 106.820, 47.980
Unit cell angles	90.00, 101.98, 90.00

Refinement procedure

Resolution	46.940 - 1.500
R-factor	0.1887
Rwork	0.187
R-free	0.22030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.979
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.940	1.600
High resolution limit [Å]	1.500	1.500
Rmerge	0.042	0.233
Number of reflections	137873	24033
<I/σ(I)>	19.84	6.62
Completeness [%]	97.7	97
Redundancy	3.51	3.44
CC(1/2)	0.998	0.951

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	293	1.4 M potassium phosphate pH 7.9