7ME9

CDD-1 beta-lactamase in imidazole/MPD 30 seconds 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	2020-06-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 43 3 2
Unit cell lengths	123.489, 123.489, 123.489
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.230 - 1.700
R-factor	0.1797
Rwork	0.178
R-free	0.20500
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7lno
RMSD bond length	0.007
RMSD bond angle	0.984
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	PHENIX (dev_3908)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.100	1.730
High resolution limit [Å]	1.700	1.700
Rmeas	0.110
Rpim	0.023	0.350
Number of reflections	36007	1853
<I/σ(I)>	20.7	2.2
Completeness [%]	100.0
Redundancy	23.6
CC(1/2)	0.999	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