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 |