4OH0

Crystal structure of OXA-58 carbapenemase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-06-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	37.121, 65.408, 93.758
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.103 - 1.300
R-factor	0.151
Rwork	0.149
R-free	0.18020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.027
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.500	1.330
High resolution limit [Å]	1.300	1.300
Rmerge	0.053	0.795
Number of reflections	56879
<I/σ(I)>	17	2.1
Completeness [%]	99.5	96
Redundancy	6.3	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.2 M sodium acetate, 0.1 M Tris-HCl, pH 8.5, 30% PEG4000, VAPOR DIFFUSION, SITTING DROP, temperature 277K