1N1Y
Trypanosoma rangeli sialidase in complex with sialic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-06-22 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.931 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.833, 95.639, 109.218 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.800 |
| R-factor | 0.23692 |
| Rwork | 0.235 |
| R-free | 0.26900 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1n1s |
| RMSD bond length | 0.015 * |
| RMSD bond angle | 1.669 * |
| 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] | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.098 * | 0.267 * |
| Total number of observations | 68000 * | |
| Number of reflections | 18969 | |
| Completeness [%] | 92.6 | 83.5 |
| Redundancy | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | PEG-8000, sodium cacodylate, ammonium sulfate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | sodium phosphate | 20 (mM) | |
| 3 | 1 | drop | sodium acetate | 30 (mM) | pH7.0 |
| 4 | 1 | reservoir | PEG8000 | 16 (%(w/w)) | |
| 5 | 1 | reservoir | sodium cacodylate | 50 (mM) | |
| 6 | 1 | reservoir | ammonium sulfate | 100 (mM) | pH6.5 |
