6PTU

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

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	2018-12-12
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	58.497, 106.656, 94.659
Unit cell angles	90.00, 107.60, 90.00

Refinement procedure

Resolution	33.077 - 2.004
R-factor	0.1684
Rwork	0.167
R-free	0.21510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hbr
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.142	0.055	0.664
Rmeas	0.166	0.064	0.781
Rpim	0.086	0.033	0.408
Total number of observations	252662
Number of reflections	69097	3702	3262
<I/σ(I)>	6.2
Completeness [%]	93.2	97.1	88.9
Redundancy	3.7	3.7	3.6
CC(1/2)		0.996	0.639

Crystallization Conditions

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