7R6Z

OXA-48 bound by Compound 3.3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-04-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.999889
Spacegroup name	P 65 2 2
Unit cell lengths	121.808, 121.808, 160.462
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.350 - 2.100
R-factor	0.1675
Rwork	0.166
R-free	0.19510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hbr
RMSD bond length	0.002
RMSD bond angle	0.473
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.350	2.175
High resolution limit [Å]	2.100	2.100
Rmerge	0.137	0.803
Rmeas		0.819
Number of reflections	41784	4062
<I/σ(I)>	34.125
Completeness [%]	99.9
Redundancy	26.1	26.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M Tris HCl pH 8.5, 25% v/v PEG 550 MME