2VK6
THE STRUCTURE OF CLOSTRIDIUM PERFRINGENS NANI SIALIDASE AND ITS CATALYTIC INTERMEDIATES
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.370, 71.046, 98.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.400 - 1.500 |
R-factor | 0.161 |
Rwork | 0.160 |
R-free | 0.18500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 1.713 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.400 | 1.540 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.060 | 0.290 |
Number of reflections | 73189 | |
<I/σ(I)> | 15.5 | 3.6 |
Completeness [%] | 93.0 | 89 |
Redundancy | 3.4 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |