9BKW

Crystal structure of a C2 domain 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	2024-04-13
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 41 21 2
Unit cell lengths	81.657, 81.657, 41.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.830 - 1.850
R-factor	0.1939
Rwork	0.192
R-free	0.22560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.115
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.460	1.900
High resolution limit [Å]	1.850	1.850
Rmeas	0.199	2.422
Rpim	0.039	0.483
Number of reflections	12504	900
<I/σ(I)>	14.8	2.3
Completeness [%]	100.0	100
Redundancy	25.6	24.8
CC(1/2)	0.999	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	291	Grid Screen Salt HT C10: 2.4 M Sodium malonate pH 5.0, TrvaA.17083.b.B2.PB00135 at 12 mg/mL. plate 13979 well C10 drop 1, Puck: PSL-0101, Cryo: 3.0M Malonate, pH 7.0.