9BKY

Crystal structure of a C2 domain from Trichomonas vaginalis (sulfate bound)

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 43 21 2
Unit cell lengths	86.399, 86.399, 132.663
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.940 - 1.730
R-factor	0.1811
Rwork	0.180
R-free	0.20940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.000
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]	44.940	1.770
High resolution limit [Å]	1.730	1.730
Rmerge	0.202	2.503
Rmeas	0.206	2.550
Rpim	0.040	0.484
Total number of observations	1389460	105572
Number of reflections	53166	3860
<I/σ(I)>	14.9	2.2
Completeness [%]	100.0
Redundancy	26.1	27.4
CC(1/2)	0.999	0.748

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	Crystal Screen HT C8: 2.0M Ammonium Sulfate, TrvaA.17083.b.B2.PB00135 at 12 mg/mL. plate 13973 well C8, drop 1, Puck: PSL-0315, Cryo: 2.5M Lithium Sulfate.