3PJQ
Trypanosoma cruzi trans-sialidase-like inactive isoform (including the natural mutation Tyr342His) in complex with lactose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-06-12 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.391, 130.217, 54.529 |
| Unit cell angles | 90.00, 107.90, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.100 |
| R-factor | 0.1892 |
| Rwork | 0.186 |
| R-free | 0.24670 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.948 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.5) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 51.778 | 51.778 | 2.210 |
| High resolution limit [Å] | 1.950 | 6.640 | 2.100 |
| Rmerge | 0.052 | 0.032 | 0.315 |
| Total number of observations | 2168 | 7866 | |
| Number of reflections | 29944 | ||
| <I/σ(I)> | 12 | 9.1 | 2.4 |
| Completeness [%] | 71.9 | 84.9 | 70.1 |
| Redundancy | 1.8 | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | microseeding in 10% PEG 4000, 100mM Tris.HCl, 5% isopropanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
