2VK5
THE STRUCTURE OF CLOSTRIDIUM PERFRINGENS NANI SIALIDASE AND ITS CATALYTIC INTERMEDIATES
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 96.892, 69.019, 72.808 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 0.970 |
Rwork | 0.115 |
R-free | 0.12600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sll |
RMSD bond length | 0.017 |
RMSD bond angle | 2.048 |
Data reduction software | MOSFLM |
Phasing software | CNS |
Refinement software | SHELX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.020 |
High resolution limit [Å] | 0.970 | 0.970 |
Rmerge | 0.070 | 0.330 |
Number of reflections | 281317 | |
<I/σ(I)> | 15.6 | 3.6 |
Completeness [%] | 98.0 | 95 |
Redundancy | 4.6 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |