5EWK
Scabin toxin from Streptomyces Scabies in complex with inhibitor PJ34
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 | 87.470, 61.180, 38.030 |
Unit cell angles | 90.00, 100.38, 90.00 |
Refinement procedure
Resolution | 37.410 - 1.600 |
R-factor | 0.1549 |
Rwork | 0.154 |
R-free | 0.17900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5daz |
RMSD bond length | 0.009 |
RMSD bond angle | 1.049 |
Data scaling software | XDS |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.410 | 1.657 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.029 | 0.510 |
Number of reflections | 26018 | |
<I/σ(I)> | 23.33 | 2.56 |
Completeness [%] | 100.0 | 100 |
Redundancy | 3.8 | 3.7 |
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 |