4Y0O

Crystal structure of OXA-58, a carbapenem hydrolyzing Class D beta-lactamase from Acinetobacter baumanii.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR-H
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-02-22
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	37.074, 67.038, 93.515
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.480 - 2.370
R-factor	0.19776
Rwork	0.193
R-free	0.23967
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.732
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.480	2.460
High resolution limit [Å]	2.370	2.370
Rmerge	0.110	0.360
Number of reflections	9500
<I/σ(I)>	11.26	2.75
Completeness [%]	95.7	73.1
Redundancy	3.1	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1M Tris base/Hydrochloric acid (pH 8.0), 30% (w/v) PEG 3350