9ZK2

Crystal structure of a calcium bound C2 domain containing protein from Trichomonas vaginalis (orthorhombic P 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 21 21 21
Unit cell lengths	35.507, 88.086, 97.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.520 - 1.530
R-factor	0.2296
Rwork	0.228
R-free	0.25580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.942
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]	48.520	1.570
High resolution limit [Å]	1.530	1.530
Rmerge	0.055	1.524
Rmeas	0.057	1.582
Rpim	0.016	0.421
Total number of observations	611835	47335
Number of reflections	46936	3426
<I/σ(I)>	20.7	1.7
Completeness [%]	100.0
Redundancy	13	13.8
CC(1/2)	1.000	0.877

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291	Proplex A9: 0.2M NaCl, 0.1M MES, pH 6.0, 20% PEG2000 MME . 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 A9 drop 3, Puck: PSL-0106, Cryo: 20% PEG200 + 80% crystallant