4O52

Crystal Structure of Trichomonas vaginalis Triosephosphate Isomerase Ile45-Val mutant (Tvag_497370)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-04-06
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5419
Spacegroup name	P 2 21 21
Unit cell lengths	46.806, 55.858, 104.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.308 - 1.950
R-factor	0.1692
Rwork	0.167
R-free	0.20910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.444
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (dev_1396)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.858	55.858	2.060
High resolution limit [Å]	1.950	6.170	1.950
Rmerge		0.040	0.371
Total number of observations		4913	20942
Number of reflections	20768
<I/σ(I)>	15.7	13.2	2.1
Completeness [%]	100.0	99.9	100
Redundancy	7.2	6.5	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	294	0.2M Ammonium acetate, 0.1M Sodium citrate, 30% PEG 4000, pH 5.6, vapor diffusion, hanging drop, temperature 294K