2H4C
Structure of Daboiatoxin (heterodimeric PLA2 venom)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-11-14 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 32 |
| Unit cell lengths | 66.977, 66.977, 240.273 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 7.990 - 2.600 |
| R-factor | 0.22 |
| Rwork | 0.220 |
| R-free | 0.30700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1poa |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 36932 | |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 4.2 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | calcium chloride grid screen (Molecular Dimensions), 1.5M CaCl2, Tris-HCl (pH 9.0), 10% (w/v) PEG 4000, pH 8.50, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
