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 |