8VF6

Crystal structure of Serine/threonine-protein kinase 33 (STK33) Kinase Domain in complex with inhibitor CDD-2211

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	84.210, 87.920, 98.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.960 - 2.700
R-factor	0.2229
Rwork	0.221
R-free	0.25490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.665
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.21rc1_5049: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.960	2.830
High resolution limit [Å]	2.700	2.700
Number of reflections	20575	1037
<I/σ(I)>	7.4
Completeness [%]	96.8	100
Redundancy	2
CC(1/2)	0.994	0.605

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	0.2 M potassium nitrate, 20% w/v Polyethylene glycol 3350