9ZK1

Crystal structure of a calcium bound C2 domain containing protein from Trichomonas vaginalis (P21 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 1 21 1
Unit cell lengths	35.953, 88.059, 97.198
Unit cell angles	90.00, 90.85, 90.00

Refinement procedure

Resolution	44.030 - 1.510
R-factor	0.1888
Rwork	0.188
R-free	0.21390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.856
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]	48.590	1.550
High resolution limit [Å]	1.510	1.510
Rmerge	0.054	0.956
Rmeas	0.058	1.029
Rpim	0.022	0.378
Total number of observations	650542	49774
Number of reflections	93813	6879
<I/σ(I)>	15.7	1.7
Completeness [%]	99.0
Redundancy	6.9	7.2
CC(1/2)	0.999	0.848

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. plate 20301 A9 drop 2, Puck: PSL-0105, Cryo: 20% PEG200 + 80% crystallant