7MEF

CDD-1 beta-lactamase in imidazole/MPD 10 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	123.803, 123.803, 123.803
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.150 - 1.900
R-factor	0.1916
Rwork	0.190
R-free	0.22950
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.062
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]	39.200	1.950
High resolution limit [Å]	1.900	1.900
Rmeas	0.130
Rpim	0.032	0.378
Number of reflections	26101	1701
<I/σ(I)>	11.7	1.7
Completeness [%]	99.9
Redundancy	16.9
CC(1/2)	0.998	0.776

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