2BHI
Crystal structure of Taiwan cobra cardiotoxin A3 complexed with sulfogalactoceramide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL17B2 |
| Synchrotron site | NSRRC |
| Beamline | BL17B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-04-18 |
| Detector | ADSC CCD |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 63.327, 63.327, 120.879 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.470 - 2.310 |
| R-factor | 0.219 |
| Rwork | 0.219 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h0j |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.700 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.500 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.050 | 0.340 |
| Number of reflections | 6821 | |
| <I/σ(I)> | 34.6 | 5.1 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 6.1 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 1.8 M SODIUM MALONATE, 7.5% (V/V) TERT-BUTANOL, 7.5% (V/V) PENTAERYTHRITOL ETHOXYLATE (15/4 EO/OH), 0.08% (W/V) C10E6, 50 MM IMIDAZOLE, AND 50 MM TRIS-HCL, PH 7.0. |
