2OV5

Crystal structure of the KPC-2 carbapenemase

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
Detector	ADSC QUANTUM 315
Wavelength(s)	0.970
Spacegroup name	P 31
Unit cell lengths	116.245, 116.245, 52.001
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.061 - 1.850
Rwork	0.148
R-free	0.19000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1DY6-A
RMSD bond length	0.006
RMSD bond angle	1.288
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.064	0.344
Number of reflections	64107
<I/σ(I)>	19.7	2.3
Completeness [%]	95.6	90.8
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	16% PEG6000, 0.1M bicine, pH 9, VAPOR DIFFUSION, SITTING DROP, temperature 293K