7MEE

CDD-1 beta-lactamase in imidazole/MPD 6 minute avibactam complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 43 3 2
Unit cell lengths	123.323, 123.323, 123.323
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.000 - 1.880
R-factor	0.189
Rwork	0.188
R-free	0.21590
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	1.016
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.000	1.920
High resolution limit [Å]	1.880	1.880
Rmeas	0.139
Rpim	0.030	0.377
Number of reflections	26789	1590
<I/σ(I)>	13.2	2
Completeness [%]	99.7
Redundancy	21.2
CC(1/2)	0.999	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M HEPES pH 7.0, 2.4 M ammonium sulfate