7LJK

Crystal structure of the deacylation deficient KPC-2 F72Y mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2018-09-27
Detector	ADSC QUANTUM 315
Wavelength(s)	0.99999
Spacegroup name	P 1
Unit cell lengths	34.325, 37.310, 82.178
Unit cell angles	92.43, 90.41, 94.62

Refinement procedure

Resolution	37.150 - 1.810
R-factor	0.1586
Rwork	0.157
R-free	0.19710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c5a
RMSD bond length	0.007
RMSD bond angle	0.903
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]	37.150	1.875
High resolution limit [Å]	1.810	1.810
Rmerge	0.057
Number of reflections	32888	3244
<I/σ(I)>	10.84
Completeness [%]	88.9
Redundancy	1.8
CC(1/2)	0.986	0.876

Crystallization Conditions

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