4LFQ
High resolution x-ray crystal structure of L-ShK toxin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-03-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.688 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 41.161, 49.491, 27.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.745 - 1.059 |
| R-factor | 0.1322 |
| Rwork | 0.131 |
| R-free | 0.16000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.275 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1313) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.080 |
| High resolution limit [Å] | 1.059 | 2.880 | 1.060 |
| Rmerge | 0.093 | 0.046 | 0.434 |
| Number of reflections | 13043 | ||
| <I/σ(I)> | 4 | ||
| Completeness [%] | 98.3 | 93.4 | 98.8 |
| Redundancy | 7.3 | 7.4 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | 2.1 M DL-Malic acid, pH 7, vapor diffusion, hanging drop, temperature 292K |
