1GIR
CRYSTAL STRUCTURE OF THE ENZYMATIC COMPONET OF IOTA-TOXIN FROM CLOSTRIDIUM PERFRINGENS WITH NADPH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-18B |
| Synchrotron site | Photon Factory |
| Beamline | BL-18B |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.600, 88.370, 93.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 2.100 |
| Rwork | 0.205 |
| R-free | 0.24800 |
| Structure solution method | MIR |
| RMSD bond length | 0.006 |
| RMSD bond angle | 23.000 * |
| Data reduction software | MOSFLM |
| Phasing software | SOLVE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.053 | 0.297 |
| Number of reflections | 26770 | |
| <I/σ(I)> | 7.6 | |
| Completeness [%] | 91.2 | 78.6 |
| Redundancy | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.5 * | 4 * | PEG4000, NADPH, temperature 277.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | 10 (mg/ml) | |
| 2 | 1 | drop | Tris | 10 (mM) | pH7.5 |
| 3 | 1 | reservoir | PEG4000 | 18.5 (%(w/v)) | |
| 4 | 1 | reservoir | NADPH | 16 (mM) | |
| 5 | 1 | reservoir | Tris | 10 (mM) | pH7.5 |
