7KGC

Crystal structure of a perchloric acid-soluble protein (PSP) from Trichomonas vaginalis at 1.95 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-19
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97
Spacegroup name	P 63
Unit cell lengths	81.950, 81.950, 129.391
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.684 - 1.950
R-factor	0.198
Rwork	0.196
R-free	0.24130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qah
RMSD bond length	0.017
RMSD bond angle	1.474
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.082	0.440
Number of reflections	35775	2529
<I/σ(I)>	14.1	2.4
Completeness [%]	99.7	99.9
Redundancy	3.5	3.5
CC(1/2)	0.990	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.2 M sodium citrate tribasic dihydrate, 0.1 M TRIS hydrochloride, pH 8.5 and 30% polyethylene glycol 400