1MS1
Monoclinic 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] | 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 | 63.719, 129.793, 88.039 |
| Unit cell angles | 90.00, 90.67, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 1.800 |
| R-factor | 0.17668 |
| Rwork | 0.175 |
| R-free | 0.19900 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdb id 1MZ5 |
| RMSD bond length | 0.010 * |
| RMSD bond angle | 1.320 * |
| 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 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.086 * | 0.421 * |
| Number of reflections | 155765 | |
| Completeness [%] | 99.2 | 97.3 |
| Redundancy | 3.6 * |
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 (%) |
