1MS8
Triclinic form of Trypanosoma cruzi trans-sialidase, in complex with 3-deoxy-2,3-dehydro-N-acetylneuraminic acid (DANA)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2001-05-07 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 1 |
| Unit cell lengths | 51.502, 74.181, 87.574 |
| Unit cell angles | 86.10, 84.20, 88.20 |
Refinement procedure
| Resolution | 20.000 * - 2.000 |
| R-factor | 0.16612 |
| Rwork | 0.163 |
| R-free | 0.22200 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdb id 1MZ5 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.870 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.012 | 2.110 |
| High resolution limit [Å] | 2.000 * | 2.000 * |
| Rmerge | 0.034 * | 0.112 * |
| Number of reflections | 74272 | |
| Completeness [%] | 85.9 | 64.4 |
| Redundancy | 1.9 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 7.5 | 291 | PEG4000, Tris.HCl, Isopropanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | protein | 18 (mg/ml) | |
| 2 | 1 | 1 | PEG4000 | 10 (%) | |
| 3 | 1 | 1 | Tris-HCl | 100 (mM) | pH7.5 |
| 4 | 1 | 1 | isopropanol | 5 (%) |
