4O54
Crystal Structure of Trichomonas vaginalis Triosephosphate Isomerase Ile45-Phe 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 | 46.829, 56.202, 105.877 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.829 - 1.900 |
R-factor | 0.1689 |
Rwork | 0.165 |
R-free | 0.21480 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.400 |
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] | 46.829 | 46.829 | 2.000 |
High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
Rmerge | 0.021 | 0.270 | |
Total number of observations | 7621 | 14606 | |
Number of reflections | 21301 | ||
<I/σ(I)> | 30.8 | 27.3 | 2.8 |
Completeness [%] | 94.6 | 97 | 89.9 |
Redundancy | 9.9 | 9.8 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 294 | 0.2M Calcium acetate, 0.1M Sodium cacodylate, 18% PEG 8000, pH 6.5, vapor diffusion, hanging drop, temperature 294K |