4O53
Crystal Structure of Trichomonas vaginalis Triosephosphate Isomerase Ile45-Leu 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 | 46.891, 55.954, 105.157 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.396 - 2.000 |
| R-factor | 0.1679 |
| Rwork | 0.165 |
| R-free | 0.21970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.334 |
| 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] | 55.954 | 55.954 | 2.110 |
| High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
| Rmerge | 0.040 | 0.151 | |
| Total number of observations | 3303 | 12609 | |
| Number of reflections | 19121 | ||
| <I/σ(I)> | 18.8 | 11.2 | 4.7 |
| Completeness [%] | 98.9 | 98 | 96.6 |
| Redundancy | 5.2 | 4.9 | 4.7 |
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 |
