4U5H
crystal structure of con-ikot-ikot toxin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.910, 144.860, 48.600 |
| Unit cell angles | 90.00, 94.63, 90.00 |
Refinement procedure
| Resolution | 19.903 - 1.580 |
| R-factor | 0.1946 |
| Rwork | 0.194 |
| R-free | 0.21120 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.066 |
| Data scaling software | XDS |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.770 | 1.620 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.590 | |
| Number of reflections | 80044 | |
| <I/σ(I)> | 9.3 | 2.4 |
| Completeness [%] | 99.3 | 99.5 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Tris pH 8.5, 35% methanol, 16% PEG3350 |
