9YFY

KrkA D193C Kdo adduct

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-04-10
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9201
Spacegroup name	P 63
Unit cell lengths	121.150, 121.150, 131.496
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.440 - 2.030
R-factor	0.2239
Rwork	0.222
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.489
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.440	2.030
High resolution limit [Å]	2.027	2.030
Number of reflections	70912	3520
<I/σ(I)>	11.1
Completeness [%]	100.0
Redundancy	21.3
CC(1/2)	0.996	0.367

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2 M potassium chloride, 0.1 M glycine pH 9.5 and 20% v/v pentaerythritol ethoxylate (15/4 EO/OH)