6PT5

Crystal Structure of Class D Beta-lactamase OXA-48 with Cefoxitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-29
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	60.246, 107.115, 96.105
Unit cell angles	90.00, 104.06, 90.00

Refinement procedure

Resolution	27.098 - 2.304
R-factor	0.1949
Rwork	0.193
R-free	0.24190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hbr
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.066	0.043	0.240
Rmeas	0.078	0.051	0.287
Rpim	0.040	0.027	0.155
Total number of observations	187471
Number of reflections	51210	2653	2401
<I/σ(I)>	7.9
Completeness [%]	97.8	98.4	91.7
Redundancy	3.7	3.7	3.2
CC(1/2)		0.996	0.948

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	0.2 M Ammonium Acetate, 0.1 M Sodium Acetate pH 4.6, 30%(w/v) PEG-4000