1MS0
Monoclinic form of Trypanosoma cruzi trans-sialidase, in complex with 3-deoxy-2,3-dehydro-N-acetylneuraminic acid (DANA)and 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 | 2002-03-11 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.222, 133.374, 90.606 |
| Unit cell angles | 90.00, 91.41, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.500 |
| R-factor | 0.19391 |
| Rwork | 0.191 |
| R-free | 0.25300 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdb id 1MZ5 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.680 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.103 * | 0.471 * |
| Number of reflections | 66109 | |
| Completeness [%] | 98.1 | 96.5 |
| Redundancy | 3.3 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 8 * | 291 | PEG 4000, TrisHCl, isopropanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291.K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | DANA | 2 (mM) | |
| 2 | 1 | 1 | ammonium sulfate | 2 (M) | |
| 3 | 1 | 1 | HEPES | 100 (mM) | pH8. |
| 4 | 1 | 1 | PEG400 | 2 (%) |
