6V1O

Structure of OXA-48 bound to QPX7728 at 1.80 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-27
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	58.440, 105.550, 94.403
Unit cell angles	90.00, 107.92, 90.00

Refinement procedure

Resolution	38.850 - 1.800
R-factor	0.1596
Rwork	0.158
R-free	0.22380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hbr
Data reduction software	iMOSFLM (7.2.2)
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.200	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.175	0.960
Total number of observations		17432
Number of reflections	98181	4776
<I/σ(I)>	7.5	1.6
Completeness [%]	97.6	95.4
Redundancy	3.8	3.6
CC(1/2)	0.984	0.516

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.2 M Magnesium chloride, 0.1 M Tris-HCl pH 8.5, 30% (w/v) PEG4000