6ZRP

Crystal structure of class D Beta-lactamase OXA-48 in complex with meropenem

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2009-07-27
Detector	DECTRIS PILATUS3 X 2M
Wavelength(s)	0.87260
Spacegroup name	P 1 21 1
Unit cell lengths	46.994, 125.286, 105.199
Unit cell angles	90.00, 77.70, 90.00

Refinement procedure

Resolution	45.920 - 1.740
R-factor	0.1585
Rwork	0.157
R-free	0.18680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hbr
RMSD bond length	0.012
RMSD bond angle	1.721
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.920	1.830
High resolution limit [Å]	1.740	1.740
Rmerge	0.054	0.453
Rmeas	0.065	0.557
Rpim	0.036	0.320
Number of reflections	121354	17556
<I/σ(I)>	12.2	2.1
Completeness [%]	99.9
Redundancy	3.1
CC(1/2)	0.998	0.862

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	10% PEG 4000, 5-8% 1-butanol, and 100 mM HEPES pH 7.5