2BF6
Atomic Resolution Structure of the bacterial sialidase NanI from Clostridium perfringens in complex with alpha-Sialic Acid (Neu5Ac).
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 |
| Collection date | 2004-02-20 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 96.981, 69.413, 72.694 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.000 - 0.970 |
| R-factor | 0.1134 |
| R-free | 0.13310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sll |
| RMSD bond length | 0.016 |
| RMSD bond angle | 0.031 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.000 | 1.030 |
| High resolution limit [Å] | 0.970 | 0.970 |
| Rmerge | 0.100 | 0.190 |
| Number of reflections | 290992 | |
| <I/σ(I)> | 11.8 | 5 |
| Completeness [%] | 91.0 | 87 |
| Redundancy | 3.8 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 20 % PEG 3350, 0.2M POTASSIUM NITRATE, pH 7.00 |
