2A75
Trypanosoma rangeli Sialidase In Complex With 2,3- Difluorosialic Acid (Covalent Intermediate)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-11-02 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.979158 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.218, 96.102, 106.648 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.040 - 1.950 |
| R-factor | 0.174 |
| Rwork | 0.174 |
| R-free | 0.21600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1n1s |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.800 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.630 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.111 | 0.300 |
| Number of reflections | 47608 | |
| <I/σ(I)> | 3.9 | 1.7 |
| Completeness [%] | 91.2 | 80.4 |
| Redundancy | 2.9 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | PEG 8000, ammonium sulfate, sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
