5EWY
Scabin toxin from Streptomyces Scabies in complex with inhibitor P6E
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-15 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 87.170, 60.530, 37.940 |
| Unit cell angles | 90.00, 100.25, 90.00 |
Refinement procedure
| Resolution | 42.889 - 1.400 |
| R-factor | 0.1534 |
| Rwork | 0.153 |
| R-free | 0.16550 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.014 |
| Data scaling software | XDS |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.456 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.029 | 0.720 |
| Number of reflections | 38076 | |
| <I/σ(I)> | 20.44 | 1.69 |
| Completeness [%] | 100.0 | 99 |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | 0.1 M MES, pH 6.5, 15% w/v PEG400 |
