9Z8K

Crystal Structure of serine/threonine-protein kinase (AEK1) from Trypanosoma brucei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-11-01
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	I 2 2 2
Unit cell lengths	86.599, 89.098, 201.567
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.300 - 2.050
R-factor	0.1966
Rwork	0.195
R-free	0.23480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.644
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MoRDa
Refinement software	PHENIX ((2.0_5882: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.300	2.110
High resolution limit [Å]	2.050	2.050
Rmerge	0.088	1.617
Rmeas	0.092	1.678
Rpim	0.025	0.447
Total number of observations	657586	52967
Number of reflections	49269	3797
<I/σ(I)>	16.4	1.8
Completeness [%]	100.0
Redundancy	13.3	13.9
CC(1/2)	0.999	0.815

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	IDX G2 (25% (w/v) PEG 3350, 0.1 M BIS-TRIS pH 5.5, 0.2 M lithium sulfate. TrbrA.01480.a.WW4.PS38793 at 13.5 mg/mL. The C-terminal tail ~60 residues was disordered in each subunit. Residue Ser 71 in subunit A contained a large amount of density near the OG atom. This was modeled as a phosphoserine (SEP) although this is not a predicted phosphorylation site. plate 20520 G2 drop 1, Puck: PSL-0604, Cryo: 80% crystallant + 20% glycerol