6PT1

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

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	2017-10-26
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	59.797, 106.512, 95.835
Unit cell angles	90.00, 104.66, 90.00

Refinement procedure

Resolution	30.994 - 2.000
R-factor	0.1881
Rwork	0.187
R-free	0.23120
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	2.030
High resolution limit [Å]	1.998	5.430	2.000
Rmerge	0.082	0.037	0.707
Rmeas	0.097	0.044	0.838
Rpim	0.051	0.023	0.446
Number of reflections	78000	3972	3855
<I/σ(I)>	9
Completeness [%]	99.6	98.9	99.7
Redundancy	3.6	3.6	3.4
CC(1/2)		0.997	0.762

Crystallization Conditions

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