9Z2C

KHK Bound to GS-1291269

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97741
Spacegroup name	P 21 21 21
Unit cell lengths	81.879, 82.777, 143.903
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.260 - 2.020
R-factor	0.2095
Rwork	0.208
R-free	0.23060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.522
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.260	2.050
High resolution limit [Å]	2.020	2.020
Rmerge	0.063	1.212
Number of reflections	64884	2739
<I/σ(I)>	13.81	1.26
Completeness [%]	100.0
Redundancy	6.7
CC(1/2)	0.999	0.509

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	100 mM NaCitrate pH 4.5, 200 mM Ammonium Sulfate, 10-15% PEG 8000