9ZOG

Crystal structure of nucleoside-diphosphate kinase Cryptosporidium parvum (Apo, hexamer)

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	2025-11-14
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	69.963, 70.646, 197.623
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.210 - 1.480
R-factor	0.13
Rwork	0.128
R-free	0.16100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.908
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((2.0_5765: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.210	1.520
High resolution limit [Å]	1.480	1.480
Rmerge	0.170	1.768
Rmeas	0.177	1.835
Rpim	0.048	0.489
Total number of observations	2210489	164905
Number of reflections	163681	12006
<I/σ(I)>	13.2	1.7
Completeness [%]	100.0
Redundancy	13.5	13.7
CC(1/2)	0.999	0.672

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	Berkeley H10: 100 mM Bis-Tris pH 6.5; 200 mM Sodium acetate, 25% PEG 4000. CrpaA.01302.a.B2.PW39348 at 18.8 mg/mL. Screened as ButhA.01370.b.B2 but contaminating CrpaA.01302.a.B2 on the column from a preceding purification is what crystallized. plate 20365 H10 drop 2, Puck: PSL-1602, Cryo: 20% ethylene + 80% crystallant