7JHQ

OXA-48 bound by Compound 2.3

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	2017-10-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.999999
Spacegroup name	P 65
Unit cell lengths	120.680, 120.680, 159.769
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.840 - 2.000
R-factor	0.1718
Rwork	0.170
R-free	0.21270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hbr
RMSD bond length	0.003
RMSD bond angle	0.551
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]	43.800	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.118	0.970
Number of reflections	88806	4424
<I/σ(I)>	9.27
Completeness [%]	100.0	100
Redundancy	11.9
CC(1/2)		0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1M Tris HCl pH 8.5, 30% v/v PEG 400