9C8J

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	118.230, 76.900, 97.690
Unit cell angles	90.00, 116.54, 90.00

Refinement procedure

Resolution	58.450 - 1.550
R-factor	0.185
Rwork	0.185
R-free	0.21580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.080
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]	58.450	1.605
High resolution limit [Å]	1.550	1.550
Rmerge	0.029	0.834
Number of reflections	112725	10870
<I/σ(I)>	14.17	1.05
Completeness [%]	99.3	95.75
Redundancy	1.99	1.99
CC(1/2)	0.999	0.439

Crystallization Conditions

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