2AGS
Trypanosoma rangeli Sialidase in Complex with 2-Keto-3-deoxy-D-glycero-D-galacto-2,3-difluoro-nononic acid (2,3-difluoro-KDN)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-02-14 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.933 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.672, 95.569, 105.816 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.000 - 1.700 |
R-factor | 0.154 |
Rwork | 0.154 |
R-free | 0.18900 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2a75 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.673 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.066 | 0.247 |
Number of reflections | 81374 | |
<I/σ(I)> | 8.2 | 2.8 |
Completeness [%] | 98.5 | 93.8 |
Redundancy | 3.4 | 2.9 |
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 |