9NT0

OXA-23-meropenem, pH 7.5

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	2025-01-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 42 21 2
Unit cell lengths	82.991, 82.991, 85.128
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.870 - 1.600
R-factor	0.1689
Rwork	0.167
R-free	0.20210
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.014
RMSD bond angle	1.419
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.870	1.630
High resolution limit [Å]	1.600	1.600
Rmeas	0.066
Rpim	0.018	0.385
Number of reflections	39875	1950
<I/σ(I)>	20.7	1.7
Completeness [%]	100.0
Redundancy	20.7
CC(1/2)	1.000	0.625

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M lithium sulfate, 0.1 M HEPES, pH 7.5, 25% PEG3350