9N0I

Crystal structure of KABLE double mutant (Lys14Pro, Leu20Trp)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.11583
Spacegroup name	P 1 21 1
Unit cell lengths	52.904, 90.290, 89.572
Unit cell angles	90.00, 100.93, 90.00

Refinement procedure

Resolution	48.980 - 2.150
R-factor	0.2028
Rwork	0.200
R-free	0.26380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.171
Data reduction software	XDS (Jun 30, 2023)
Data scaling software	XDS (Jun 30, 2023)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.980	2.220
High resolution limit [Å]	2.150	2.150
Rmerge	0.046	0.544
Rmeas	0.055	0.655
Rpim	0.029	0.361
Total number of observations	152329	12231
Number of reflections	44903	3863
<I/σ(I)>	15.5	2.1
Completeness [%]	99.7
Redundancy	3.4	3.2
CC(1/2)	0.999	0.732

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	0.2 M sodium bromide, 0.1 M Bis-Tris propane pH 6.5, 20% PEG 3350