3QSR

Crystal structure of Trichomonas vaginalis triosephosphate isomerase TVAG_497370 gene (Ile-45 variant)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002+
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-05-28
Detector	RIGAKU RAXIS IV++
Spacegroup name	P 2 21 21
Unit cell lengths	46.820, 55.750, 103.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.853 - 2.050
R-factor	0.1788
Rwork	0.176
R-free	0.22160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.935
Data reduction software	MOSFLM
Data scaling software	d*TREK
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.014	38.014	2.160
High resolution limit [Å]	2.050	6.480	2.050
Rmerge	0.093	0.027	0.433
Total number of observations		4395	13485
Number of reflections	15748
<I/σ(I)>	16.5	23.7	1.7
Completeness [%]	88.8	99.6	79.4
Redundancy	6.9	6.8	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294.15	0.2 M Calcium acetate; 0.1 M Sodium cacodylate; 18 % PEG 8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294.15K