5XWE
Structure of a three finger toxin from Ophiophagus hannah venom
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 39.480, 18.183, 77.190 |
| Unit cell angles | 90.00, 104.75, 90.00 |
Refinement procedure
| Resolution | 14.930 - 1.800 |
| R-factor | 0.2567 |
| Rwork | 0.238 |
| R-free | 0.27420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qke |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.327 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.19.1_4122: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.920 |
| High resolution limit [Å] | 1.799 | 1.790 |
| Number of reflections | 10035 | |
| <I/σ(I)> | 2.2 | |
| Completeness [%] | 97.0 | |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 0.2M NaCl, 0.1M Bis-Tris PH 5.5, 25% PEG 3350 |
