9O9R

Crystal structure of nucleoside-diphosphate kinase Cryptosporidium parvum

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	2025-02-02
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 65 2 2
Unit cell lengths	69.985, 69.985, 315.415
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.050 - 1.310
R-factor	0.1494
Rwork	0.147
R-free	0.18710
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.933
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SHELX
Refinement software	PHENIX ((1.21rc1_5156: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.050	1.340
High resolution limit [Å]	1.310	1.310
Rmerge	0.156	1.304
Rmeas	0.158	1.336
Rpim	0.026	0.289
Total number of observations	4047371	168206
Number of reflections	111176	8057
<I/σ(I)>	22.9	2.5
Completeness [%]	100.0
Redundancy	36.4	20.9
CC(1/2)	0.999	0.564

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	Index HT C6: 1.5M ammonium sufate, 0.1M sodium chloride, 0.1 M Bis-Tris pH 6.5. CrpaA.01302.a.B2.PW39348 at 8.9 mg/mL. plate 19658 C6 drop 1, Puck: PSL-0601, Cryo: Paratone-N and parafin oil (1:1)