9C84

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	2023-10-21
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.11583
Spacegroup name	C 1 2 1
Unit cell lengths	119.190, 76.280, 98.100
Unit cell angles	90.00, 116.00, 90.00

Refinement procedure

Resolution	58.570 - 1.700
R-factor	0.1627
Rwork	0.162
R-free	0.18780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.903
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]	58.570	1.761
High resolution limit [Å]	1.700	1.700
Rmerge	0.018	0.090
Number of reflections	79680	5027
<I/σ(I)>	24.78	7.04
Completeness [%]	91.7	58.24
Redundancy	1.99	1.99
CC(1/2)	0.999	0.977

Crystallization Conditions

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