9C6P

X-ray crystal structure of AmpC beta-lactamase with inhibitor

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-29
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.11583
Spacegroup name	C 1 2 1
Unit cell lengths	118.470, 77.200, 97.640
Unit cell angles	90.00, 116.16, 90.00

Refinement procedure

Resolution	58.540 - 1.663
R-factor	0.1876
Rwork	0.187
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	16.059
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.540	1.722
High resolution limit [Å]	1.663	1.663
Rmerge	0.014	0.084
Number of reflections	91682	8895
<I/σ(I)>	27.3
Completeness [%]	98.0	95.98
Redundancy	1.99
CC(1/2)	1.000	0.984

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	2M KPI; pH 8.56