9Z29

KHK Bound to Compound 9

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-X
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-05
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.54278
Spacegroup name	P 21 21 21
Unit cell lengths	83.027, 86.180, 136.985
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.240 - 1.970
R-factor	0.2202
Rwork	0.219
R-free	0.24940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.818
Data reduction software	CrysalisPro
Data scaling software	CrysalisPro
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.240	2.020
High resolution limit [Å]	1.970	1.970
Rmerge	0.131	1.559
Number of reflections	69551	4773
<I/σ(I)>	11	0.97
Completeness [%]	99.2
Redundancy	7.6
CC(1/2)	0.999	0.521

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