3HH7
Structural and Functional Characterization of a Novel Homodimeric Three-finger Neurotoxin from the Venom of Ophiophagus hannah (King Cobra)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR-H |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-03 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.265, 41.292, 40.978 |
| Unit cell angles | 90.00, 106.40, 90.00 |
Refinement procedure
| Resolution | 19.740 - 1.550 |
| R-factor | 0.196 |
| Rwork | 0.194 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.274 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 3.340 | 1.550 |
| Rmerge | 0.093 | 0.099 | 0.094 |
| Number of reflections | 17366 | ||
| <I/σ(I)> | 40.215 | ||
| Completeness [%] | 99.1 | 100 | 92.9 |
| Redundancy | 4.7 | 8.7 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 8.5 | 293 | 0.1M Tris, pH 8.5, 20% v/v ethanol, EVAPORATION, temperature 293K |
