9ZK6

Crystal structure of a C2 domain containing protein from Trichomonas vaginalis in complex with pyrophosphate

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	35.518, 89.297, 96.105
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.050 - 1.700
R-factor	0.212
Rwork	0.211
R-free	0.23120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.825
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]	48.050	1.740
High resolution limit [Å]	1.700	1.700
Rmerge	0.042	1.775
Rmeas	0.044	1.844
Rpim	0.012	0.493
Total number of observations	454670	34268
Number of reflections	34553	2497
<I/σ(I)>	25.7	1.7
Completeness [%]	100.0
Redundancy	13.2	13.7
CC(1/2)	0.999	0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	Pproplex C9: 0.1 M Sodium cacodylate pH 5.5, 20% PEG 4000. TrvaA.01422.c.B2.PB00149 at 20 mg/mL. overnight soak with 10mM pyrophosphate, plate 20301 C9 drop 1, Puck: PSL-0402, Cryo: 33% PEG 4000, 0.1M MES 5.5