3ODV
X-ray structure of kaliotoxin by racemic protein crystallography
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-06 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.95373 |
| Spacegroup name | P -1 |
| Unit cell lengths | 25.150, 30.511, 41.097 |
| Unit cell angles | 109.39, 97.39, 97.09 |
Refinement procedure
| Resolution | 38.130 - 0.950 |
| R-factor | 0.18878 |
| Rwork | 0.188 |
| R-free | 0.20326 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.646 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 0.980 |
| High resolution limit [Å] | 0.950 | 0.950 |
| Rmerge | 0.057 | |
| Number of reflections | 62285 | |
| <I/σ(I)> | 19.9 | 1.8 |
| Completeness [%] | 88.2 | 50.9 |
| Redundancy | 4.3 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 1.8 M sodium citrate tribasic dihydrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
