9EHY

X-ray crystal structure of ADC-33 beta-lactamase in complex with ceftazidime in acyl and product forms

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2021-11-19
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	43.127, 84.055, 205.597
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.850 - 1.570
R-factor	0.1932
Rwork	0.192
R-free	0.21980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.889
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.19.1_4122: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	102.799	1.725
High resolution limit [Å]	1.570	1.570
Rpim	0.026	0.349
Number of reflections	79527	3975
<I/σ(I)>	15	1.7
Completeness [%]	93.5	58.8
Redundancy	7.9	8.9
CC(1/2)	0.999	0.723

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	0.1 M succinate/phosphate/glycine, 25% w/v PEG-1500