9Z2B

KHK Bound to Compound 18

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	82.751, 86.037, 136.179
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.020 - 2.110
R-factor	0.2156
Rwork	0.214
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.700
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]	43.020	2.150
High resolution limit [Å]	2.110	2.110
Rmerge	0.036	1.449
Number of reflections	56667	2797
<I/σ(I)>	26.77
Completeness [%]	99.8
Redundancy	6.7
CC(1/2)	1.000	0.500

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