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 |