9YFZ

KrkA D193C ternary complex

This is a non-PDB format compatible entry.

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	121.719, 121.719, 131.962
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.180 - 2.210
R-factor	0.2231
Rwork	0.222
R-free	0.25320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.469
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.180	2.250
High resolution limit [Å]	2.210	2.210
Number of reflections	55115	2735
<I/σ(I)>	8.1
Completeness [%]	100.0
Redundancy	21.5
CC(1/2)	0.992	0.312

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M ammonium chloride, 0.1 M HEPES pH 7.5 and 25% v/v glycerol ethoxylate