7LK8

Crystal structure of KPC-2 T215P mutant

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	2018-11-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.999983
Spacegroup name	P 21 21 21
Unit cell lengths	67.840, 71.660, 92.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.100 - 1.430
R-factor	0.1588
Rwork	0.157
R-free	0.18590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c5a
RMSD bond length	0.005
RMSD bond angle	0.818
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]	46.100	1.481
High resolution limit [Å]	1.430	1.430
Rmerge	0.026	0.308
Number of reflections	82170	7735
<I/σ(I)>	11.12	1.78
Completeness [%]	98.2	93.8
Redundancy	1.9	1.9
CC(1/2)	0.999	0.832

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.15	298	2.5M NaCl, 0.1M Sodium Acetate pH:5.15