6VVF
Scabin (Y129H) toxin from Streptomyces scabies
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 | PIXEL |
Collection date | 2019-02-15 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 88.550, 60.230, 37.920 |
Unit cell angles | 90.00, 99.38, 90.00 |
Refinement procedure
Resolution | 28.620 - 1.750 |
R-factor | 0.1725 |
Rwork | 0.171 |
R-free | 0.20640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5daz |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.620 | 1.813 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.041 | 0.706 |
Rmeas | 0.048 | 0.829 |
Rpim | 0.025 | 0.430 |
Number of reflections | 19873 | 1976 |
<I/σ(I)> | 18.48 | 2.14 |
Completeness [%] | 99.7 | 99.14 |
Redundancy | 3.8 | 2.14 |
CC(1/2) | 0.999 | 0.821 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 294 | 100 mM potassium chloride, 50 mM sodium cacodylate trihydrate, pH 6.0, 16% PEG1000, 0.5 mM spermine |