9YN9

Crystal structure of nucleoside-diphosphate kinase Cryptosporidium parvum (GMP complex)

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	2025-07-26
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 65 2 2
Unit cell lengths	69.766, 69.766, 314.954
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.930 - 1.640
R-factor	0.1491
Rwork	0.148
R-free	0.17570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.039
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((2.0_5833: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.930	1.670
High resolution limit [Å]	1.640	1.640
Rmerge	0.083	1.611
Rmeas	0.085	1.670
Rpim	0.015	0.429
Total number of observations	1749540	40003
Number of reflections	57213	2778
<I/σ(I)>	24.5	1.6
Completeness [%]	100.0
Redundancy	30.6	14.4
CC(1/2)	1.000	0.715

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	Index C6: 1.5 M ammonium sulfate, 100 mM Bis-Tris pH 6.5, 100mM NaCl, CrpaA.01302.a.B2.PW39348 at 9.2 mg/mL. overnight soak in 2mM GMP in crystallant, Liu-S-177 H4 , Puck: PSL-0103, Cryo: 2.5M ammonium sulfate.