5VWN

Triosephosphate isomerases deletion loop 3 from Trichomonas vaginalis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-15
Detector	RAYONIX MX-300
Wavelength(s)	0.98
Spacegroup name	P 2 21 21
Unit cell lengths	47.121, 57.030, 104.875
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.601 - 1.740
R-factor	0.1951
Rwork	0.193
R-free	0.22340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wje
RMSD bond length	0.008
RMSD bond angle	0.840
Data scaling software	Aimless (0.5.31)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.440	52.440	1.770
High resolution limit [Å]	1.740	9.040	1.740
Rmerge	0.055	0.026	0.351
Rmeas	0.063	0.030	0.399
Rpim	0.030	0.016	0.188
Number of reflections	29766
<I/σ(I)>	12.7
Completeness [%]	100.0	96.8	100
Redundancy	4.3	3.3	4.3
CC(1/2)	0.998	0.999	0.914

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	0.2 M Calcium Acetate, 0.1 M Sodium Cacodylate pH 6.5, 18 % PEG 8000