6Z22

Crystal structure of deacylation mutant KPC-4 (E166Q)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-09
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.77
Spacegroup name	P 21 21 2
Unit cell lengths	60.197, 78.941, 55.981
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.660 - 1.400
R-factor	0.1417
Rwork	0.140
R-free	0.17630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qwe
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.660	1.420
High resolution limit [Å]	1.400	1.400
Rpim	0.052	0.696
Number of reflections	53273	2586
<I/σ(I)>	8.8	1.3
Completeness [%]	100.0
Redundancy	13.4
CC(1/2)	0.999	0.674

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	1.8M ammonium sulphate, 5% ethanol