9ZK4

Crystal structure of a malonate 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	25.206, 82.360, 56.780
Unit cell angles	90.00, 96.61, 90.00

Refinement procedure

Resolution	46.540 - 1.300
R-factor	0.1435
Rwork	0.142
R-free	0.17080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.837
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]	46.540	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.077	0.306
Rmeas	0.083	0.345
Rpim	0.032	0.154
Total number of observations	355779	9046
Number of reflections	54463	1895
<I/σ(I)>	13.2	4
Completeness [%]	96.3
Redundancy	6.5	4.8
CC(1/2)	0.997	0.925

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291	Grid salt screen D3: 1.90 M sodium malonate, pH 6.0. TrvaA.01422.c.B2.PB00149 at 20 mg/mL. plate 20302 D3 drop 1, Puck: PSL-0112, Cryo: 3.40 M sodium alonate, pH 6.0