9Z28

KHK Bound to Compound 7

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	2020-07-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	83.003, 86.500, 137.423
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.150 - 2.150
R-factor	0.2008
Rwork	0.200
R-free	0.22490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.558
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]	45.150	2.190
High resolution limit [Å]	2.150	2.150
Rmerge	0.096	1.729
Number of reflections	54379	2832
<I/σ(I)>	11.26	0.84
Completeness [%]	99.5
Redundancy	6.7
CC(1/2)	0.998	0.338

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