8RWO

KPC-2 G89D Mutant Apo Structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-25
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.81531
Spacegroup name	P 21 21 2
Unit cell lengths	59.945, 78.618, 55.892
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.890 - 1.130
R-factor	0.1628
Rwork	0.162
R-free	0.18980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.968
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.890	1.170
High resolution limit [Å]	1.130	1.130
Rpim	0.063	1.259
Number of reflections	99265	9801
<I/σ(I)>	5.8	0.5
Completeness [%]	100.0
Redundancy	13.2
CC(1/2)	0.999	0.347

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	2 M Ammonium Sulphate, 5% ethanol