6VI9
Observing a ring-cleaving dioxygenase in action through a crystalline lens - an alkylperoxo bound structure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-14 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97919 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 57.790, 57.790, 231.440 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.550 - 2.310 |
R-factor | 0.23 |
Rwork | 0.225 |
R-free | 0.27500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yfu |
RMSD bond length | 0.016 |
RMSD bond angle | 1.021 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.16) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.122 | 0.996 |
Number of reflections | 11036 | 478 |
<I/σ(I)> | 6 | |
Completeness [%] | 99.6 | 100 |
Redundancy | 16.7 | 17.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 292 | 15% PEG8000, 0.1 M Tris-HCl, 0.2 M magnesium chloride, pH 8.5 |