1N1S
Trypanosoma rangeli sialidase
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 | 2000-06-23 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.931 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.020, 93.970, 105.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.640 |
R-factor | 0.17406 |
Rwork | 0.173 |
R-free | 0.19300 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mz5 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.314 |
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 * | 1.740 |
High resolution limit [Å] | 1.640 | 1.640 |
Rmerge | 0.047 * | 0.405 * |
Total number of observations | 413311 * | |
Number of reflections | 85308 | |
Completeness [%] | 89.5 | 52.5 |
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
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | PEG-8000 | ||
2 | 1 | 1 | sodium cacodylate | ||
3 | 1 | 1 | ammonium sulfate | ||
4 | 1 | 2 | ammonium sulfate | ||
5 | 1 | 2 | PEG-8000 |
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 |