5TSP
Crystal structure of the catalytic domain of Clostridium perfringens neuraminidase (NanI) in complex with a CHES
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.386, 98.007, 72.648 |
| Unit cell angles | 90.00, 90.99, 90.00 |
Refinement procedure
| Resolution | 35.204 - 1.240 |
| R-factor | 0.1447 |
| Rwork | 0.144 |
| R-free | 0.15770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vk5 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.205 |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.260 |
| High resolution limit [Å] | 1.240 | 1.240 |
| Number of reflections | 272513 | |
| <I/σ(I)> | 12 | 5.5 |
| Completeness [%] | 99.5 | 98.6 |
| Redundancy | 4.1 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% (w/v) PEG 3350, 0.2 M ammonium sulfate |
