3PAG

Crystal structure of the V130D mutant of OXA-24/40 in complex with doripenem

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-05
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.1
Spacegroup name	P 41
Unit cell lengths	102.274, 102.274, 85.449
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.250
R-factor	0.19127
Rwork	0.189
R-free	0.23298
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2jc7
RMSD bond length	0.017
RMSD bond angle	1.622
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.330
High resolution limit [Å]	2.250	2.250
Number of reflections	41616
Completeness [%]	99.0	95.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	100 mM TRIS-HCl, 2.0 M ammonium sulfate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K