6V1J

Structure of KPC-2 bound to QPX7728 at 1.30 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 2 21 21
Unit cell lengths	55.660, 59.990, 78.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.800 - 1.300
R-factor	0.146
Rwork	0.144
R-free	0.18020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ul8
Data reduction software	iMOSFLM (7.2.2)
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.340	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.164	1.990
Total number of observations		21968
Number of reflections	65033	3161
<I/σ(I)>	9.6	1.8
Completeness [%]	100.0	100
Redundancy	7.2	6.9
CC(1/2)	0.997	0.638

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	2.0 M Ammonium sulfate, 5% (v/v) Ethanol