9ZK5

Crystal structure of a calcium bound C2 domain containing protein from Trichomonas vaginalis (P61 form)

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	2025-09-20
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 61
Unit cell lengths	72.280, 72.280, 76.170
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.140 - 1.540
R-factor	0.1741
Rwork	0.173
R-free	0.19550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.968
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]	48.360	1.580
High resolution limit [Å]	1.540	1.540
Rmerge	0.065	1.913
Rmeas	0.067	1.960
Rpim	0.015	0.427
Total number of observations	690569	51663
Number of reflections	33479	2452
<I/σ(I)>	23.5	1.7
Completeness [%]	100.0
Redundancy	20.6	21.1
CC(1/2)	1.000	0.822

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291	Berkeley C3: 100 mM CaCl2, 20% PEG 3350. TrvaA.01422.c.B2.PB00149 at 20 mg/mL. plate 20299 C3 drop 1, Puck: PSL-0312, Cryo: 20% PEG200 + 80% crystallant