7LR9

Crystal structure of KPC-2 S70G/T215P mutant with hydrolyzed imipenem

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.999995
Spacegroup name	P 1
Unit cell lengths	34.673, 37.743, 82.706
Unit cell angles	91.54, 90.37, 93.84

Refinement procedure

Resolution	37.640 - 1.470
R-factor	0.171
Rwork	0.171
R-free	0.18060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c5a
RMSD bond length	0.006
RMSD bond angle	0.951
Data reduction software	xia2
Data scaling software	pointless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.640	1.523
High resolution limit [Å]	1.470	1.470
Rmerge	0.049	0.101
Number of reflections	68235	6730
<I/σ(I)>	12.4
Completeness [%]	95.9
Redundancy	3
CC(1/2)	0.997	0.984

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	25% PEG 8,000, 0.1M KsCN, 0.1M Sodium Acetate pH:4.5