8SQG

OXA-48 bound to inhibitor CDD-2801

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-16
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	1.00002
Spacegroup name	P 65 2 2
Unit cell lengths	121.929, 121.929, 160.522
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.520 - 2.030
R-factor	0.1935
Rwork	0.191
R-free	0.22670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.855
Data reduction software	MOSFLM (7.4.0)
Data scaling software	SCALA (3.2.2)
Phasing software	PHASER (3.60.0)
Refinement software	REFMAC (5.0.32)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.520	2.103
High resolution limit [Å]	2.030	2.030
Number of reflections	46045	4529
<I/σ(I)>	20.08	3.35
Completeness [%]	99.9
Redundancy	22.7
CC(1/2)	0.999	0.914

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	25% (v/v) PEG 550 MME, 0.1 M TRIS-HCl pH 8.5