1MS5
Triclinic form of Trypanosoma cruzi trans-sialidase, soaked with N-acetylneuraminyl-a-2,3-thio-galactoside (NA-S-Gal)
Experimental 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 | 2001-05-07 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.934 |
Spacegroup name | P 1 |
Unit cell lengths | 51.365, 74.692, 88.074 |
Unit cell angles | 86.00, 84.20, 88.38 |
Refinement procedure
Resolution | 27.000 * - 2.000 |
R-factor | 0.17327 |
Rwork | 0.170 |
R-free | 0.23700 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdb id 1MZ5 |
RMSD bond length | 0.021 |
RMSD bond angle | 1.760 * |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.450 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.028 * | 0.052 * |
Number of reflections | 64249 | |
Completeness [%] | 73.9 | 52 |
Redundancy | 1.6 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 7.5 | 291 | PEG 4000, Tris.HCl, Isopropanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | protein | 18 (mg/ml) | |
2 | 1 | 1 | PEG4000 | 10 (%) | |
3 | 1 | 1 | Tris-HCl | 100 (mM) | pH7.5 |
4 | 1 | 1 | isopropanol | 5 (%) |