7AW5

Crystal structure of OXA-48 beta-lactamase in the complex with the inhibitor ID3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.072
Spacegroup name	P 21 21 21
Unit cell lengths	72.470, 73.680, 124.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.667 - 1.650
R-factor	0.177
Rwork	0.176
R-free	0.20720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hbr
RMSD bond length	0.009
RMSD bond angle	1.156
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.670	1.680
High resolution limit [Å]	1.650	1.650
Number of reflections	80899	3950
<I/σ(I)>	11.5
Completeness [%]	99.8
Redundancy	2.5
CC(1/2)	0.995	0.916

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Hepes, pH 7.5, 12% PEG8000, 8% 1-butanol, OXA-48 8.0-8.5 mg/ml, inhibitor/protein ratio 6.5:1