6XD5

Apo KPC-2 N170A mutant at 1.20 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	PIXEL
Collection date	2018-03-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00
Spacegroup name	P 2 21 21
Unit cell lengths	56.259, 60.050, 77.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.330 - 1.200
R-factor	0.1564
Rwork	0.155
R-free	0.17900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ul8
Data reduction software	iMOSFLM (7.3.0)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.050	60.050	1.220
High resolution limit [Å]	1.200	6.570	1.200
Rmerge	0.162	0.138	1.886
Total number of observations		3864	16045
Number of reflections	82782	610	3781
<I/σ(I)>	6.9	14.1	1.3
Completeness [%]	99.5	99.9	93.5
Redundancy	6.7	6.3	4.2
CC(1/2)	0.991	0.980	0.282

Crystallization Conditions

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