23VK

Crystal structure of full-length of APS kinase from Entamoeba histolytica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.90000
Spacegroup name	C 2 2 21
Unit cell lengths	144.449, 158.387, 226.163
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.970 - 2.595
Rwork	0.227
R-free	0.26480
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	1.285
Data reduction software	XDS
Data scaling software	XDS
Phasing software	CRANK2
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.590	2.590
Rmerge	0.066
Number of reflections	79795	12586
<I/σ(I)>	14.36	0.8
Completeness [%]	99.5
Redundancy	6.1
CC(1/2)	0.999	0.531

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	10 mM Tris-HCl (pH 8.0) 100 mM NaCl 1 mM TCEP 5 mM APS 5 mM AMP-PNP 5 mM MgCl2 0.24 M K2SO4 16% PEG3400