7T7G

Imipenem-OXA-23 2 minute complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97949
Spacegroup name	I 4 2 2
Unit cell lengths	175.139, 175.139, 80.264
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.160 - 2.500
R-factor	0.2586
Rwork	0.257
R-free	0.29150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jf6
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.200	2.600
High resolution limit [Å]	2.500	2.500
Rmeas	0.083
Rpim	0.021	0.294
Number of reflections	21845	2411
<I/σ(I)>	20.3	2.7
Completeness [%]	100.0	100
Redundancy	17
CC(1/2)	0.999	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2 M succinic acid, 20% PEG3350