7L8O

OXA-48 bound by Compound 4.3

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	CCD
Collection date	2019-12-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.999909
Spacegroup name	P 65
Unit cell lengths	122.039, 122.039, 160.787
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.600 - 2.700
R-factor	0.1706
Rwork	0.168
R-free	0.21050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hbr
RMSD bond length	0.006
RMSD bond angle	0.738
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.600	2.798
High resolution limit [Å]	2.700	2.702
Rmerge	0.134	0.656
Number of reflections	37105	3638
<I/σ(I)>	19.3	3.8
Completeness [%]	99.7	98.03
Redundancy	11.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	0.1 M TRIS 8.5 pH, 25 %v/v PEG 550 MME