3H79
Crystal structure of Trypanosoma cruzi thioredoxin-like hypothetical protein Q4DV70
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-21 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.459 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.042, 50.321, 61.179 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.430 - 1.500 |
| R-factor | 0.18209 |
| Rwork | 0.180 |
| R-free | 0.22361 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2b5e |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.158 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.070 | 0.240 |
| Number of reflections | 17813 | |
| <I/σ(I)> | 23.9 | 4.7 |
| Completeness [%] | 99.1 | 95.9 |
| Redundancy | 4.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 291 | 25% PEG 1500, 0.2M sodium thiocyanate, 0.01M phenol, 10% ethyleneglycol, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
