9C83

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	119.774, 77.030, 100.079
Unit cell angles	90.00, 115.47, 90.00

Refinement procedure

Resolution	58.870 - 2.900
R-factor	0.3145
Rwork	0.307
R-free	0.37730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
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]	58.870	3.004
High resolution limit [Å]	2.900	2.900
Rmerge	0.172	0.199
Number of reflections	35902	1644
<I/σ(I)>	2.88	1.24
Completeness [%]	98.6	89.15
Redundancy	1.977	1.87
CC(1/2)	0.837	0.828

Crystallization Conditions

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