9ZK3

Crystal structure of a C2 domain containing protein from Trichomonas vaginalis

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 1 21 1
Unit cell lengths	25.270, 86.386, 55.977
Unit cell angles	90.00, 95.02, 90.00

Refinement procedure

Resolution	46.850 - 1.350
R-factor	0.1503
Rwork	0.149
R-free	0.16980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.813
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((2.0_5896: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.850	1.370
High resolution limit [Å]	1.350	1.350
Rmerge	0.065	0.941
Rmeas	0.070	1.022
Rpim	0.026	0.392
Total number of observations	351707	13633
Number of reflections	49457	2066
<I/σ(I)>	15.9	2
Completeness [%]	94.4
Redundancy	7.1	6.6
CC(1/2)	0.999	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	Proplex C11: 0.1M sodium cacodylate, pH 6.5, 25% PEG 4000. TrvaA.01422.c.B2.PB00149 at 20 mg/mL. cocrystallization with 3.3 mM CaCl2 and phytic acid. The latter did not bind. plate 20301 C11 drop 1, Puck: PSL-0108, Cryo: 20% PEG200 + 80% crystallant