2AH2
Trypanosoma cruzi trans-sialidase in complex with 2,3-difluorosialic acid (covalent intermediate)
Replaces: 1S0KExperimental 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 | 2003-04-16 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.149, 128.690, 54.298 |
| Unit cell angles | 90.00, 108.74, 90.00 |
Refinement procedure
| Resolution | 28.400 - 1.600 |
| R-factor | 0.099 |
| Rwork | 0.099 |
| R-free | 0.15200 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.768 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.400 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.042 | 0.201 |
| Number of reflections | 82813 | |
| Completeness [%] | 89.2 | 83.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | PEG 4000, Tris-HCl, isopropanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
